Carbamothioic acid,methyl(2-phenylethyl)-, S-ethyl ester (9CI) supplier

Name
S-ethyl methyl(2-phenylethyl)carbamothioate
EINECS
CAS No. 92886-89-0
Density 1.08g/cm³
Solubility
Melting Point
Formula C₁₂H₁₇NOS
Boiling Point 335.8 °C at 760 mmHg
Molecular Weight 223.3345
Flash Point 156.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms
PSA
LogP

Carbamothioic acid,methyl(2-phenylethyl)-, S-ethyl ester (9CI) Specification

The Carbamothioic acid,methyl(2-phenylethyl)-, S-ethyl ester (9CI), with CAS registry number 92886-89-0, has the systematic name of S-ethyl methyl(2-phenylethyl)carbamothioate. Its molecular weight is 223.3345. And the chemical formula of this chemical is C₁₂H₁₇NOS.

Physical properties of Carbamothioic acid,methyl(2-phenylethyl)-, S-ethyl ester (9CI): (1)ACD/LogP: 3.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.43; (4)ACD/LogD (pH 7.4): 3.43; (5)ACD/BCF (pH 5.5): 240.18; (6)ACD/BCF (pH 7.4): 240.18; (7)ACD/KOC (pH 5.5): 1760.35; (8)ACD/KOC (pH 7.4): 1760.35; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 45.61 Å²; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 66.08 cm³; (15)Molar Volume: 206.6 cm³; (16)Polarizability: 26.19×10^-24cm³; (17)Surface Tension: 41.4 dyne/cm; (18)Density: 1.08 g/cm³; (19)Flash Point: 156.9 °C; (20)Enthalpy of Vaporization: 57.89 kJ/mol; (21)Boiling Point: 335.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000117 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(SCC)N(CCc1ccccc1)C
(2)InChI: InChI=1/C12H17NOS/c1-3-15-12(14)13(2)10-9-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3
(3)InChIKey: QKZYXVYNKCHBIC-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C12H17NOS/c1-3-15-12(14)13(2)10-9-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3
(5)Std. InChIKey: QKZYXVYNKCHBIC-UHFFFAOYSA-N

Product Name

S-ethyl methyl(2-phenylethyl)carbamothioate

Carbamothioic acid,methyl(2-phenylethyl)-, S-ethyl ester (9CI) Specification

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