Product Name

  • Name

    3-thietan-1-ol

  • EINECS 233-678-3
  • CAS No. 10304-16-2
  • Article Data18
  • CAS DataBase
  • Density 1.336 g/cm3
  • Solubility
  • Melting Point
  • Formula C3H6OS
  • Boiling Point 185.8 °C at 760 mmHg
  • Molecular Weight 90.146
  • Flash Point 91.3 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 10304-16-2 (3-thietan-1-ol)
  • Hazard Symbols
  • Synonyms NSC 101854;Thiacyclobutan-3-ol;
  • PSA 45.53000
  • LogP 0.09410

Synthetic route

epichlorohydrin
106-89-8

epichlorohydrin

3-thietanol
10304-16-2

3-thietanol

Conditions
ConditionsYield
benzyltriethylammonium tetrathiomolybdate In ethanol; acetonitrile at 28℃; for 3h;90%
With hydrogen sulfide; potassium hydroxide In water at 60℃; for 18h;51%
1,3-Dichloro-2-propanol
96-23-1

1,3-Dichloro-2-propanol

3-thietanol
10304-16-2

3-thietanol

Conditions
ConditionsYield
With sodium sulfide; triethylhexadecylammonium chloride In dichloromethane; water for 3h;81%
oxiranyl-methanol
556-52-5

oxiranyl-methanol

3-thietanol
10304-16-2

3-thietanol

Conditions
ConditionsYield
Stage #1: oxiranyl-methanol With dicyclohexyl-carbodiimide; copper(l) chloride at 28℃;
Stage #2: benzyltriethylammonium tetrathiomolybdate In ethanol; acetonitrile at 28℃; Further stages.;		73%
2-(chloromethyl)thiirane
3221-15-6

2-(chloromethyl)thiirane

ammonium thiocyanate
1147550-11-5

ammonium thiocyanate

A

3-thietanol
10304-16-2

3-thietanol

B

3-Thietanyl isothiocyanate
59288-36-7

3-Thietanyl isothiocyanate

Conditions
ConditionsYield
In water; benzene at 50℃; for 2h;A 30%
B 51%
...Expand
Phenethyl-thiocarbamic acid S-(3-chloro-2-hydroxy-propyl) ester

Phenethyl-thiocarbamic acid S-(3-chloro-2-hydroxy-propyl) ester

3-thietanol
10304-16-2

3-thietanol

Conditions
ConditionsYield
With phenethylamine In dimethyl sulfoxide at 50℃; for 2h; Yield given;
Phenethyl-thiocarbamic acid S-(3-bromo-2-hydroxy-propyl) ester

Phenethyl-thiocarbamic acid S-(3-bromo-2-hydroxy-propyl) ester

3-thietanol
10304-16-2

3-thietanol

Conditions
ConditionsYield
With phenethylamine In dimethyl sulfoxide at 50℃; for 2h; Yield given;
(+-)-1-chloro-3-mercapto-propan-2-ol

(+-)-1-chloro-3-mercapto-propan-2-ol

3-thietanol
10304-16-2

3-thietanol

Conditions
ConditionsYield
With alkaline solution
(+-) epichlorohydrin

(+-) epichlorohydrin

3-thietanol
10304-16-2

3-thietanol

Conditions
ConditionsYield
With alkali hydrogensulfide solution at 50℃;
1,3-Dichloro-2-propanol
96-23-1

1,3-Dichloro-2-propanol

A

3-thietanol
10304-16-2

3-thietanol

B

4-hydroxy-1,2-dithiolane
27550-66-9

4-hydroxy-1,2-dithiolane

C

1,2,3-trithian-5-ol
69337-13-9

1,2,3-trithian-5-ol

Conditions
ConditionsYield
Stage #1: With sulfur; ethanolamine; hydrazine In water at 65℃; for 2.5h;
Stage #2: 1,3-Dichloro-2-propanol With ethanolamine; hydrazine In water at 27 - 35℃; for 2h;
Stage #3: In chloroform-d1 for 18h; Inert atmosphere;
...Expand
2-(chloromethyl)thiirane
3221-15-6

2-(chloromethyl)thiirane

A

3-thietanol
10304-16-2

3-thietanol

B

N-hydroxythietan-3-amine
1418193-25-5

N-hydroxythietan-3-amine

Conditions
ConditionsYield
With hydroxylamine In hexane; water at 50℃; for 15h;A n/a
B 244 mg
3-thietanol
10304-16-2

3-thietanol

chloro-trimethyl-silane
75-77-4

chloro-trimethyl-silane

3-trimethylsilatothietane

3-trimethylsilatothietane

Conditions
ConditionsYield
In pyridine 1.) 0 deg C, 1h, 2.) room temperature, 1h;83%
3-thietanol
10304-16-2

3-thietanol

3-hydroxythietane 1-oxide
24446-67-1

3-hydroxythietane 1-oxide

Conditions
ConditionsYield
With 3-chloro-benzenecarboperoxoic acid In dichloromethane for 18h; Ambient temperature;64%
3-thietanol
10304-16-2

3-thietanol

2,2'-dipyridyl carbonate
1659-31-0

2,2'-dipyridyl carbonate

Carbonic acid pyridin-2-yl ester thietan-3-yl ester

Carbonic acid pyridin-2-yl ester thietan-3-yl ester

Conditions
ConditionsYield
With triethylamine In dichloromethane at 24℃; for 12h;
3-thietanol
10304-16-2

3-thietanol

A

thioformaldehyde
865-36-1

thioformaldehyde

B

acetaldehyde
75-07-0

acetaldehyde

Conditions
ConditionsYield
at 900℃; under 0.02 - 0.04 Torr;
3-thietanol
10304-16-2

3-thietanol

phthalimide
136918-14-4

phthalimide

di-isopropyl ether
108-20-3

di-isopropyl ether

diethylazodicarboxylate
1972-28-7

diethylazodicarboxylate

3-phthalimidoylthietane

3-phthalimidoylthietane

Conditions
ConditionsYield
With triphenylphosphine In tetrahydrofuran
...Expand
3-thietanol
10304-16-2

3-thietanol

2-chloro-4-fluoro-5-[2-methoxy-6-oxo-4-trifluoromethyl-1(6H) pyrimidinyl]-benzoic acid
115784-94-6

2-chloro-4-fluoro-5-[2-methoxy-6-oxo-4-trifluoromethyl-1(6H) pyrimidinyl]-benzoic acid

thietan-3-yl 2-chloro-4-fluoro-5-[2-methoxy-6-oxo-4-trifluoromethyl-1(6H)-pyrimidinyl]-benzoate

thietan-3-yl 2-chloro-4-fluoro-5-[2-methoxy-6-oxo-4-trifluoromethyl-1(6H)-pyrimidinyl]-benzoate

Conditions
ConditionsYield
With pyridine; hydrogenchloride; thionyl chloride In 1,4-dioxane; N-methyl-acetamide; hexane; water; benzene
3-thietanol
10304-16-2

3-thietanol

2-chloro-5-(3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl)-4-fluoro-benzoic acid
120890-57-5

2-chloro-5-(3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl)-4-fluoro-benzoic acid

thietan-3-yl 2-chloro-5-[3,6-dihydro-2 6-dioxo-3-methyl-4-trifluoromethyl-1(2H)-pyrimidinyl]-4-fluorobenzoate

thietan-3-yl 2-chloro-5-[3,6-dihydro-2 6-dioxo-3-methyl-4-trifluoromethyl-1(2H)-pyrimidinyl]-4-fluorobenzoate

Conditions
ConditionsYield
With pyridine; hydrogenchloride; thionyl chloride In 1,4-dioxane; N-methyl-acetamide; hexane; water; benzene
3-thietanol
10304-16-2

3-thietanol

thiourea
17356-08-0

thiourea

3-mercaptothietane
597580-25-1

3-mercaptothietane

Conditions
ConditionsYield
Stage #1: 3-thietanol; thiourea With hydrogenchloride In water at 30℃; for 25h;
Stage #2: With ammonia In water at 30℃; for 16h;
3-thietanol
10304-16-2

3-thietanol

3-mercaptothietane
597580-25-1

3-mercaptothietane

Conditions
ConditionsYield
Stage #1: 3-thietanol With hydrogenchloride; thiourea In water at 30℃; for 25h;
Stage #2: With ammonia In water at 30℃; for 16h;
Stage #1: 3-thietanol With hydrogenchloride; thiourea In water at 30℃;
Stage #2: With ammonia In water at 30℃;
Stage #1: 3-thietanol With hydrogenchloride; thiourea In water at 30℃; for 25h;
Stage #2: With ammonia In water at 30℃; for 16h;

3-Thietanol Specification

The 3-Thietanol is an organic compound with the formula C3H6OS. The IUPAC name of this chemical is thietan-3-ol. With the CAS registry number 10304-16-2, it is also named as Thiacyclobutan-3-ol.

Physical properties about 3-Thietanol are: (1)ACD/LogP: -0.45; (2)ACD/LogD (pH 5.5): -0.45; (3)ACD/LogD (pH 7.4): -0.45; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 13.5; (7)ACD/KOC (pH 7.4): 13.5; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 34.53 Å2; (12)Index of Refraction: 1.616; (13)Molar Refractivity: 23.58 cm3; (14)Molar Volume: 67.4 cm3; (15)Polarizability: 9.35×10-24cm3; (16)Surface Tension: 53.4 dyne/cm; (17)Density: 1.336 g/cm3; (18)Flash Point: 91.3 °C; (19)Enthalpy of Vaporization: 49.12 kJ/mol; (20)Boiling Point: 185.8 °C at 760 mmHg; (21)Vapour Pressure: 0.193 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC1CSC1
(2)InChI: InChI=1/C3H6OS/c4-3-1-5-2-3/h3-4H,1-2H2
(3)InChIKey: YCGJWFCBFZPGJK-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C3H6OS/c4-3-1-5-2-3/h3-4H,1-2H2
(5)Std. InChIKey: YCGJWFCBFZPGJK-UHFFFAOYSA-N

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