O-Isopropyl ethylthiocarbamate supplier

Name
O-isopropyl ethylthiocarbamate
EINECS 205-517-7
CAS No. 141-98-0
Article Data10
CAS DataBase
Density 0.994 g/cm³
Solubility 114.4-2650mg/L at 25℃
Melting Point
Formula C₆H₁₃NOS
Boiling Point 165.317 °C at 760 mmHg
Molecular Weight 147.241
Flash Point 53.782 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Carbamicacid, ethylthio-, O-isopropyl ester (6CI,8CI);Carbamothioic acid, ethyl-,O-(1-methylethyl) ester (9CI);Ethylthiocarbamic acid, O-isopropyl ester;Minerec 2030;O-Isopropyl N-ethylthiocarbamate;Z 200 (flotationagent);
PSA 53.35000
LogP 1.69670

Synthetic route

: 51698-64-7
2-propylcarbonothioylthiomethylbenzene

: 3926-62-3
sodium monochloroacetic acid

: 75-04-7
ethylamine

A: 119812-11-2
sodium benzylsulfanylacetate

B: 141-98-0
O-isopropyl-N-ethylthionocarbamate

Conditions

Conditions	Yield
Stage #1: 2-propylcarbonothioylthiomethylbenzene; ethylamine In water at 70℃; for 1h; Stage #2: sodium monochloroacetic acid In water at 70℃; for 2h;	A n/a B 97%

...Expand

: 140-93-2
sodium isopropylxanthate

: 75-04-7
ethylamine

: 141-98-0
O-isopropyl-N-ethylthionocarbamate

Conditions

Conditions	Yield
Stage #1: sodium isopropylxanthate With sodium carbonate; chloroacetic acid In water at 60℃; for 2h; pH=Ca. 8; Stage #2: ethylamine In water at 20 - 70℃; for 1h;	94%
With palladium supported titanium-hexagonal mesoporous silica-10 In water at 75℃; for 10h; Reagent/catalyst; Solvent;	93%

: nickel(II) sulphate

: 140-93-2
sodium isopropylxanthate

: 75-04-7
ethylamine

: 141-98-0
O-isopropyl-N-ethylthionocarbamate

Conditions

Conditions	Yield
In water	69%

...Expand

: 105-65-7
diisopropyl xanthogen disulfide

: 75-04-7
ethylamine

A: C2H7N*C4H8OS2

B: 141-98-0
O-isopropyl-N-ethylthionocarbamate

Conditions

Conditions	Yield
With sodium hypochlorite In water

...Expand

: 51698-64-7
2-propylcarbonothioylthiomethylbenzene

: 75-04-7
ethylamine

A: 141-98-0
O-isopropyl-N-ethylthionocarbamate

B: 100-53-8
phenylmethanethiol

Conditions

Conditions	Yield
at 70℃; for 2h;
In water at 70℃; for 2h;

...Expand

: O-isopropyl-S-hydroxyethylxanthate

: 75-04-7
ethylamine

A: 141-98-0
O-isopropyl-N-ethylthionocarbamate

B: 60-24-2
2-hydroxyethanethiol

Conditions

Conditions	Yield
In water at 70℃; for 1h;

...Expand

O-Isopropyl ethylthiocarbamate Specification

The O-Isopropyl ethylthiocarbamate with cas registry number of 141-98-0, whose systematic name is O-(1-methylethyl) ethylthiocarbamate. And its IUPAC name is O-propan-2-yl N-ethylcarbamothioate. Besides this, it is also named carbamothioic acid, N-ethyl-, O-(1-methylethyl) ester.

Physical properties about this chemical are: (1)ACD/LogP: 1.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.74; (4)ACD/LogD (pH 7.4): 1.74; (5)ACD/BCF (pH 5.5): 12.27; (6)ACD/BCF (pH 7.4): 12.27; (7)ACD/KOC (pH 5.5): 209.44; (8)ACD/KOC (pH 7.4): 209.45; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 44.56 Å²; (13)Index of Refraction: 1.484; (14)Molar Refractivity: 42.43 cm³; (15)Molar Volume: 148.1 cm³; (16)Polarizability: 16.82×10^-24cm³; (17)Surface Tension: 35.8 dyne/cm; (18)Enthalpy of Vaporization: 40.18 kJ/mol; (19)Vapour Pressure: 1.88 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:S=C(OC(C)C)NCC;
(2)InChI:InChI=1/C6H13NOS/c1-4-7-6(9)8-5(2)3/h5H,4H2,1-3H3,(H,7,9);
(3)InChIKey:KIACEOHPIRTHMI-UHFFFAOYAC;
(4)Std. InChI:InChI=1S/C6H13NOS/c1-4-7-6(9)8-5(2)3/h5H,4H2,1-3H3,(H,7,9);
(5)Std. InChIKey:KIACEOHPIRTHMI-UHFFFAOYSA-N

Product Name

O-isopropyl ethylthiocarbamate

Synthetic route

O-Isopropyl ethylthiocarbamate Specification

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