Product Name

  • Name

    Pramipexole dihydrochloride

  • EINECS 629-842-2
  • CAS No. 104632-25-9
  • Article Data24
  • CAS DataBase
  • Density
  • Solubility
  • Melting Point 288-290 °C
  • Formula C10H17N3S.2(HCl)
  • Boiling Point 378 °C at 760 mmHg
  • Molecular Weight 284.253
  • Flash Point 182.4 °C
  • Transport Information
  • Appearance white crystalline powder
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 104632-25-9 (Pramipexole dihydrochloride)
  • Hazard Symbols
  • Synonyms 2,6-Benzothiazolediamine,4,5,6,7-tetrahydro-N6-propyl-, dihydrochloride, (6S)- (9CI);2,6-Benzothiazolediamine, 4,5,6,7-tetrahydro-N6-propyl-, dihydrochloride, (S)-;SND 19;
  • PSA 79.18000
  • LogP 4.15830

Synthetic route

(S)‑2‑amino‑6‑propionamido‑4,5,6,7‑tetrahydrobenzothiazole
106006-84-2

(S)‑2‑amino‑6‑propionamido‑4,5,6,7‑tetrahydrobenzothiazole

pramipexole dihydrochloride
104632-25-9

pramipexole dihydrochloride

Conditions
ConditionsYield
Stage #1: (S)‑2‑amino‑6‑propionamido‑4,5,6,7‑tetrahydrobenzothiazole With potassium borohydride; triethylamine; lithium chloride In tetrahydrofuran at 20℃; for 7h; Inert atmosphere; Reflux;
Stage #2: With hydrogenchloride at -5 - 20℃; for 5h; Reagent/catalyst; Solvent; Temperature; Reflux;		78.2%
Stage #1: (S)‑2‑amino‑6‑propionamido‑4,5,6,7‑tetrahydrobenzothiazole With chloro-trimethyl-silane In dichloromethane at 0 - 15℃; Inert atmosphere;
Stage #2: With lithium aluminium tetrahydride In tetrahydrofuran; dichloromethane at -10 - 0℃; Inert atmosphere;		72%
Multi-step reaction with 2 steps
1.1: sodium tetrahydroborate; boron trifluoride diethyl etherate / tetrahydrofuran / 4 h / 0 - 50 °C
1.2: 0.17 h / 10 °C
2.1: hydrogenchloride / water; methanol / 0.75 h / 25 - 30 °C
View Scheme
Stage #1: (S)‑2‑amino‑6‑propionamido‑4,5,6,7‑tetrahydrobenzothiazole With sodium bis(2-methoxyethoxy)aluminium dihydride In toluene at 80℃; for 6h;
Stage #2: With hydrogenchloride In water; isopropyl alcohol at 20℃; under 75.0075 Torr; for 1h; Temperature; Pressure;
2-amino-6-propylamino-4,5,6,7-tetrahydrobenzothiazole p-toluenesulfonic acid
943319-02-6

2-amino-6-propylamino-4,5,6,7-tetrahydrobenzothiazole p-toluenesulfonic acid

pramipexole dihydrochloride
104632-25-9

pramipexole dihydrochloride

Conditions
ConditionsYield
With acetyl chloride In isopropyl alcohol at 5 - 20℃; for 12.5h;86%
Stage #1: 2-amino-6-propylamino-4,5,6,7-tetrahydrobenzothiazole p-toluenesulfonic acid With hydrogenchloride In water at 0℃; for 0.25h;
Stage #2: With sodium hydroxide In water at 0℃; for 3h;		78%
(S)-t-butyl-2-amino-4,5,6,7-tetrahydrobenzo[d]thiazol-6-yl(propyl)carbamate
1265141-51-2

(S)-t-butyl-2-amino-4,5,6,7-tetrahydrobenzo[d]thiazol-6-yl(propyl)carbamate

pramipexole dihydrochloride
104632-25-9

pramipexole dihydrochloride

Conditions
ConditionsYield
With hydrogenchloride In tetrahydrofuran at 20 - 25℃; for 12h;85%
pramipexole
104632-26-0

pramipexole

pramipexole dihydrochloride
104632-25-9

pramipexole dihydrochloride

Conditions
ConditionsYield
With hydrogenchloride In water; acetone at 0 - 3℃; for 2h; pH=1.5; Product distribution / selectivity;98%
With hydrogenchloride In water; isopropyl alcohol at 20℃; for 2h;95.8%
With hydrogenchloride In water; acetone at 20℃; for 3h; Large scale;90.9%
pramipexole (HCl)
943319-04-8

pramipexole (HCl)

pramipexole dihydrochloride
104632-25-9

pramipexole dihydrochloride

Conditions
ConditionsYield
With hydrogenchloride; water In methanol at 3 - 8℃; for 2h;36%
(6S,7S)-2-amino-7-hydroxy-6-(propylamino)-4,5,6,7-tetrahydrobenzothiazole
1001648-71-0

(6S,7S)-2-amino-7-hydroxy-6-(propylamino)-4,5,6,7-tetrahydrobenzothiazole

pramipexole dihydrochloride
104632-25-9

pramipexole dihydrochloride

Conditions
ConditionsYield
Stage #1: (6S,7S)-2-amino-7-hydroxy-6-(propylamino)-4,5,6,7-tetrahydrobenzothiazole With hydrogenchloride; formic acid In water
Stage #2: With hydrogen; palladium on activated carbon In water Product distribution / selectivity;		87%
propionaldehyde
123-38-6

propionaldehyde

(S)-4,5,6,7-tetrahydrobenzo[d]thiazol-2,6-diamine
106092-09-5

(S)-4,5,6,7-tetrahydrobenzo[d]thiazol-2,6-diamine

pramipexole dihydrochloride
104632-25-9

pramipexole dihydrochloride

Conditions
ConditionsYield
Stage #1: propionaldehyde; (S)-4,5,6,7-tetrahydrobenzo[d]thiazol-2,6-diamine With sulfuric acid In methanol at 0℃;
Stage #2: With sodium tetrahydroborate In methanol at 0 - 20℃;
Stage #3: With hydrogenchloride In ethanol at 0℃; for 8h;
(S)-4,5,6,7-tetrahydrobenzo[d]thiazol-2,6-diamine
106092-09-5

(S)-4,5,6,7-tetrahydrobenzo[d]thiazol-2,6-diamine

pramipexole dihydrochloride
104632-25-9

pramipexole dihydrochloride

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: triethylamine / methanol / 1.5 h / 10 - 20 °C
2.1: sodium tetrahydroborate; boron trifluoride diethyl etherate / tetrahydrofuran / 4 h / 0 - 50 °C
2.2: 0.17 h / 10 °C
3.1: hydrogenchloride / water; methanol / 0.75 h / 25 - 30 °C
View Scheme
Multi-step reaction with 2 steps
1.1: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide
2.1: hydrogenchloride / water / 0.25 h / 0 °C
2.2: 3 h / 0 °C
View Scheme
Multi-step reaction with 3 steps
1: sulfuric acid; sodium tetrahydroborate / dichloromethane; methanol / 3 - 8 °C
2: hydrogenchloride / water
3: hydrogenchloride; water / methanol / 2 h / 3 - 8 °C
View Scheme
N-(4-oxocyclohexyl)acetamide
27514-08-5

N-(4-oxocyclohexyl)acetamide

pramipexole dihydrochloride
104632-25-9

pramipexole dihydrochloride

Conditions
ConditionsYield
Multi-step reaction with 7 steps
1.1: bromine; acetic acid / 0.75 h / 25 - 35 °C
1.2: 3 h / Reflux
2.1: water; sulfuric acid / 10 h / Reflux
2.2: 1.5 h / 0 - 30 °C
3.1: water / 70 °C / Reflux; Resolution of racemate
4.1: hydrogenchloride / water / carbon treatment
4.2: 1.5 h / 25 - 30 °C
5.1: triethylamine / methanol / 1.5 h / 10 - 20 °C
6.1: sodium tetrahydroborate; boron trifluoride diethyl etherate / tetrahydrofuran / 4 h / 0 - 50 °C
6.2: 0.17 h / 10 °C
7.1: hydrogenchloride / water; methanol / 0.75 h / 25 - 30 °C
View Scheme
Multi-step reaction with 3 steps
1.1: bromine / water / 2 h / 45 - 80 °C / Large scale
1.2: 3 h / Reflux; Large scale
2.1: ethanol / 5 h / 50 °C
3.1: sodium bis(2-methoxyethoxy)aluminium dihydride / toluene / 6 h / 80 °C
3.2: 1 h / 20 °C / 75.01 Torr
View Scheme
2,6-diamino-4,5,6,7-tetrahydro-benzthiazole
106006-83-1

2,6-diamino-4,5,6,7-tetrahydro-benzthiazole

pramipexole dihydrochloride
104632-25-9

pramipexole dihydrochloride

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1.1: water / 70 °C / Reflux; Resolution of racemate
2.1: hydrogenchloride / water / carbon treatment
2.2: 1.5 h / 25 - 30 °C
3.1: triethylamine / methanol / 1.5 h / 10 - 20 °C
4.1: sodium tetrahydroborate; boron trifluoride diethyl etherate / tetrahydrofuran / 4 h / 0 - 50 °C
4.2: 0.17 h / 10 °C
5.1: hydrogenchloride / water; methanol / 0.75 h / 25 - 30 °C
View Scheme
N-(2-amino-4,5,6,7-tetrahydrobenzo[d]thiazol-6-yl)acetamide hydrobromide
104617-50-7

N-(2-amino-4,5,6,7-tetrahydrobenzo[d]thiazol-6-yl)acetamide hydrobromide

pramipexole dihydrochloride
104632-25-9

pramipexole dihydrochloride

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1.1: water; sulfuric acid / 10 h / Reflux
1.2: 1.5 h / 0 - 30 °C
2.1: water / 70 °C / Reflux; Resolution of racemate
3.1: hydrogenchloride / water / carbon treatment
3.2: 1.5 h / 25 - 30 °C
4.1: triethylamine / methanol / 1.5 h / 10 - 20 °C
5.1: sodium tetrahydroborate; boron trifluoride diethyl etherate / tetrahydrofuran / 4 h / 0 - 50 °C
5.2: 0.17 h / 10 °C
6.1: hydrogenchloride / water; methanol / 0.75 h / 25 - 30 °C
View Scheme
(S)-4,5,6,7-tetrahydro-benzothiazole-2,6-diamine tartrate trihydrate
873431-80-2

(S)-4,5,6,7-tetrahydro-benzothiazole-2,6-diamine tartrate trihydrate

pramipexole dihydrochloride
104632-25-9

pramipexole dihydrochloride

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: hydrogenchloride / water / carbon treatment
1.2: 1.5 h / 25 - 30 °C
2.1: triethylamine / methanol / 1.5 h / 10 - 20 °C
3.1: sodium tetrahydroborate; boron trifluoride diethyl etherate / tetrahydrofuran / 4 h / 0 - 50 °C
3.2: 0.17 h / 10 °C
4.1: hydrogenchloride / water; methanol / 0.75 h / 25 - 30 °C
View Scheme
2-amino-6-oxo-4,5,6,7-tetrahydrobenzothiazole
113030-24-3

2-amino-6-oxo-4,5,6,7-tetrahydrobenzothiazole

pramipexole dihydrochloride
104632-25-9

pramipexole dihydrochloride

Conditions
ConditionsYield
Multi-step reaction with 8 steps
1.1: 0.5 h / 100 °C
2.1: Sucrose / aq. phosphate buffer; n-heptane / 16 h / 30 °C / pH 7
3.1: pyridine / 2 h / 0 - 20 °C
4.1: sodium azide / N,N-dimethyl-formamide / 6 h / 20 - 70 °C / Inert atmosphere
5.1: polymer bonded triphenyl phosphine / tetrahydrofuran; water / 12 h / 40 °C
6.1: hydrogenchloride; water / tetrahydrofuran / 12 h / 80 °C
7.1: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide
8.1: hydrogenchloride / water / 0.25 h / 0 °C
8.2: 3 h / 0 °C
View Scheme
(R)-2-acetylamino-6-hydroxy-4,5,6,7-tetrahydrobenzothiazole

(R)-2-acetylamino-6-hydroxy-4,5,6,7-tetrahydrobenzothiazole

pramipexole dihydrochloride
104632-25-9

pramipexole dihydrochloride

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1.1: pyridine / 2 h / 0 - 20 °C
2.1: sodium azide / N,N-dimethyl-formamide / 6 h / 20 - 70 °C / Inert atmosphere
3.1: polymer bonded triphenyl phosphine / tetrahydrofuran; water / 12 h / 40 °C
4.1: hydrogenchloride; water / tetrahydrofuran / 12 h / 80 °C
5.1: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide
6.1: hydrogenchloride / water / 0.25 h / 0 °C
6.2: 3 h / 0 °C
View Scheme
(R)-2-acetylamino-6-hydroxy-4,5,6,7-tetrahydrobenzothiazole, 6-tosylate

(R)-2-acetylamino-6-hydroxy-4,5,6,7-tetrahydrobenzothiazole, 6-tosylate

pramipexole dihydrochloride
104632-25-9

pramipexole dihydrochloride

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1.1: sodium azide / N,N-dimethyl-formamide / 6 h / 20 - 70 °C / Inert atmosphere
2.1: polymer bonded triphenyl phosphine / tetrahydrofuran; water / 12 h / 40 °C
3.1: hydrogenchloride; water / tetrahydrofuran / 12 h / 80 °C
4.1: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide
5.1: hydrogenchloride / water / 0.25 h / 0 °C
5.2: 3 h / 0 °C
View Scheme
(S)-2-acetylamino-6-azido-4,5,6,7-tetrahydrobenzothiazole

(S)-2-acetylamino-6-azido-4,5,6,7-tetrahydrobenzothiazole

pramipexole dihydrochloride
104632-25-9

pramipexole dihydrochloride

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: polymer bonded triphenyl phosphine / tetrahydrofuran; water / 12 h / 40 °C
2.1: hydrogenchloride; water / tetrahydrofuran / 12 h / 80 °C
3.1: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide
4.1: hydrogenchloride / water / 0.25 h / 0 °C
4.2: 3 h / 0 °C
View Scheme
(S)-2-acetylamino-6-amino-4,5,6,7-tetrahydrobenzothiazole

(S)-2-acetylamino-6-amino-4,5,6,7-tetrahydrobenzothiazole

pramipexole dihydrochloride
104632-25-9

pramipexole dihydrochloride

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: hydrogenchloride; water / tetrahydrofuran / 12 h / 80 °C
2.1: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide
3.1: hydrogenchloride / water / 0.25 h / 0 °C
3.2: 3 h / 0 °C
View Scheme
cyclohexanedione monoethylene ketal
4746-97-8

cyclohexanedione monoethylene ketal

pramipexole dihydrochloride
104632-25-9

pramipexole dihydrochloride

Conditions
ConditionsYield
Multi-step reaction with 11 steps
1.1: triethylamine / dichloromethane / 1 h / 0 °C / Inert atmosphere
2.1: sodium acetate; N-Bromosuccinimide / tetrahydrofuran; water / 2 h / 20 °C
2.2: 20 - 80 °C
3.1: hydrogenchloride; water / tetrahydrofuran / 4 h / Reflux
4.1: 0.5 h / 100 °C
5.1: Sucrose / aq. phosphate buffer; n-heptane / 16 h / 30 °C / pH 7
6.1: pyridine / 2 h / 0 - 20 °C
7.1: sodium azide / N,N-dimethyl-formamide / 6 h / 20 - 70 °C / Inert atmosphere
8.1: polymer bonded triphenyl phosphine / tetrahydrofuran; water / 12 h / 40 °C
9.1: hydrogenchloride; water / tetrahydrofuran / 12 h / 80 °C
10.1: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide
11.1: hydrogenchloride / water / 0.25 h / 0 °C
11.2: 3 h / 0 °C
View Scheme
1,4-cyclohexanedione-1-ethylene acetal 4-trimethylsilyl enol ether
144810-01-5

1,4-cyclohexanedione-1-ethylene acetal 4-trimethylsilyl enol ether

pramipexole dihydrochloride
104632-25-9

pramipexole dihydrochloride

Conditions
ConditionsYield
Multi-step reaction with 10 steps
1.1: sodium acetate; N-Bromosuccinimide / tetrahydrofuran; water / 2 h / 20 °C
1.2: 20 - 80 °C
2.1: hydrogenchloride; water / tetrahydrofuran / 4 h / Reflux
3.1: 0.5 h / 100 °C
4.1: Sucrose / aq. phosphate buffer; n-heptane / 16 h / 30 °C / pH 7
5.1: pyridine / 2 h / 0 - 20 °C
6.1: sodium azide / N,N-dimethyl-formamide / 6 h / 20 - 70 °C / Inert atmosphere
7.1: polymer bonded triphenyl phosphine / tetrahydrofuran; water / 12 h / 40 °C
8.1: hydrogenchloride; water / tetrahydrofuran / 12 h / 80 °C
9.1: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide
10.1: hydrogenchloride / water / 0.25 h / 0 °C
10.2: 3 h / 0 °C
View Scheme
2-amino-6-(ethylenedioxy)-4,5,6,7-tetrahydrobenzothiazole
159015-33-5

2-amino-6-(ethylenedioxy)-4,5,6,7-tetrahydrobenzothiazole

pramipexole dihydrochloride
104632-25-9

pramipexole dihydrochloride

Conditions
ConditionsYield
Multi-step reaction with 9 steps
1.1: hydrogenchloride; water / tetrahydrofuran / 4 h / Reflux
2.1: 0.5 h / 100 °C
3.1: Sucrose / aq. phosphate buffer; n-heptane / 16 h / 30 °C / pH 7
4.1: pyridine / 2 h / 0 - 20 °C
5.1: sodium azide / N,N-dimethyl-formamide / 6 h / 20 - 70 °C / Inert atmosphere
6.1: polymer bonded triphenyl phosphine / tetrahydrofuran; water / 12 h / 40 °C
7.1: hydrogenchloride; water / tetrahydrofuran / 12 h / 80 °C
8.1: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide
9.1: hydrogenchloride / water / 0.25 h / 0 °C
9.2: 3 h / 0 °C
View Scheme
2-Acetylamino-6-oxo-4,5,6,7-tetrahydrobenzothiazole
404892-23-5

2-Acetylamino-6-oxo-4,5,6,7-tetrahydrobenzothiazole

pramipexole dihydrochloride
104632-25-9

pramipexole dihydrochloride

Conditions
ConditionsYield
Multi-step reaction with 7 steps
1.1: Sucrose / aq. phosphate buffer; n-heptane / 16 h / 30 °C / pH 7
2.1: pyridine / 2 h / 0 - 20 °C
3.1: sodium azide / N,N-dimethyl-formamide / 6 h / 20 - 70 °C / Inert atmosphere
4.1: polymer bonded triphenyl phosphine / tetrahydrofuran; water / 12 h / 40 °C
5.1: hydrogenchloride; water / tetrahydrofuran / 12 h / 80 °C
6.1: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide
7.1: hydrogenchloride / water / 0.25 h / 0 °C
7.2: 3 h / 0 °C
View Scheme
pramipexole dihydrochloride
104632-25-9

pramipexole dihydrochloride

pramipexole
104632-26-0

pramipexole

Conditions
ConditionsYield
With potassium hydroxide In water at 20℃; for 1 - 2h; Product distribution / selectivity;86%
With sodium hydroxide In water
di-tert-butyl dicarbonate
24424-99-5

di-tert-butyl dicarbonate

pramipexole dihydrochloride
104632-25-9

pramipexole dihydrochloride

trifluoroacetic acid
76-05-1

trifluoroacetic acid

pramipexole(boc) trifluoroacetate

pramipexole(boc) trifluoroacetate

Conditions
ConditionsYield
Stage #1: di-tert-butyl dicarbonate; pramipexole dihydrochloride With N-ethyl-N,N-diisopropylamine In dimethyl sulfoxide at 20℃; for 3h;
Stage #2: trifluoroacetic acid In water		422 mg
...Expand
BOC-glycine
4530-20-5

BOC-glycine

pramipexole dihydrochloride
104632-25-9

pramipexole dihydrochloride

2ClH*C12H20N4OS

2ClH*C12H20N4OS

Conditions
ConditionsYield
Stage #1: BOC-glycine; pramipexole dihydrochloride With 4-methyl-morpholine; (benzotriazole-1-yloxy)tris(pyrrolidino)phosphonium hexafluorophosphate In dimethyl sulfoxide for 1h;
Stage #2: With hydrogenchloride In methanol; water for 4h;		490 mg
BOC-glycine
4530-20-5

BOC-glycine

pramipexole dihydrochloride
104632-25-9

pramipexole dihydrochloride

trifluoroacetic acid
76-05-1

trifluoroacetic acid

C17H28N4O3S*C2HF3O2

C17H28N4O3S*C2HF3O2

Conditions
ConditionsYield
Stage #1: BOC-glycine; pramipexole dihydrochloride With 4-methyl-morpholine; benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate In dimethyl sulfoxide for 1h;
Stage #2: trifluoroacetic acid In water		721 mg
...Expand
C25H25NO3S

C25H25NO3S

pramipexole dihydrochloride
104632-25-9

pramipexole dihydrochloride

trifluoroacetic acid
76-05-1

trifluoroacetic acid

C35H40N4O2S2*C2HF3O2

C35H40N4O2S2*C2HF3O2

Conditions
ConditionsYield
Stage #1: C25H25NO3S; pramipexole dihydrochloride With 4-methyl-morpholine; benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate In dimethyl sulfoxide for 16h;
Stage #2: trifluoroacetic acid In water; acetonitrile		21 mg
...Expand
C34H42N2O5S

C34H42N2O5S

pramipexole dihydrochloride
104632-25-9

pramipexole dihydrochloride

trifluoroacetic acid
76-05-1

trifluoroacetic acid

C44H57N5O4S2*C2HF3O2

C44H57N5O4S2*C2HF3O2

Conditions
ConditionsYield
Stage #1: C34H42N2O5S; pramipexole dihydrochloride With 4-methyl-morpholine; benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate In dimethyl sulfoxide for 0.666667h;
Stage #2: trifluoroacetic acid In water; acetonitrile		38 mg
...Expand

Pramipexole dihydrochloride Specification

The CAS registry number of Pramipexole dihydrochloride is 104632-25-9. The IUPAC name is (6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine dihydrochloride. In addition, the molecular formula is C10H17N3S.2(HCl) and the molecular weight is 284.25. It is also called 2,6-benzothiazolediamine, 4,5,6,7-tetrahydro-N6-propyl-, dihydrochloride, (S)-. What's more, it is a kind of white crystalline powder and belongs to the classes of Antiparkinsonian; All Inhibitors; Intermediates & Fine Chemicals; Pharmaceuticals; APIs.

Physical properties about this chemical are: (1)ACD/LogP: 1.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.97; (4)ACD/LogD (pH 7.4): -0.53; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.6; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 47.61 Å2; (13)Flash Point: 182.4 °C; (14)Enthalpy of Vaporization: 62.58 kJ/mol; (15)Boiling Point: 378 °C at 760 mmHg; (16)Vapour Pressure: 6.49E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Cl.n1c2c(sc1N)C[C@@H](NCCC)CC2
(2)InChI: InChI=1/C10H17N3S.2ClH/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8;;/h7,12H,2-6H2,1H3,(H2,11,13);2*1H/t7-;;/m0../s1
(3)InChIKey: QMNWXHSYPXQFSK-KLXURFKVBV

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