N-(Phenylmethyl)carbamimidothioic acid methyl ester supplier

Name
N-(Phenylmethyl)carbamimidothioic acid methyl ester
EINECS
CAS No. 68695-62-5
Article Data4
CAS DataBase
Density 1.09 g/cm³
Solubility
Melting Point
Formula C₉H₁₂N₂S
Boiling Point 280.2 °C at 760 mmHg
Molecular Weight 180.27
Flash Point 123.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-(Phenylmethyl)carbamimidothioic acid methyl ester
PSA 61.18000
LogP 2.56460

N-(Phenylmethyl)carbamimidothioic acid methyl ester Specification

The N-(Phenylmethyl)carbamimidothioic acid methyl ester with its cas register number is 68695-62-5. The Systematic name about this chemical is methyl N-benzylimidothiocarbamate.

Physical properties about N-(Phenylmethyl)carbamimidothioic acid methyl ester are: (1)ACD/LogP: 1.85; (2)ACD/LogD (pH 7.4): 0.12; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 2.43; (6)ACD/KOC (pH 7.4): 4.5; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 61.18Å²; (11)Index of Refraction: 1.573; (12)Molar Refractivity: 54.06 cm³; (13)Molar Volume: 163.9 cm³; (14)Polarizability: 21.43x10^-24cm³; (15)Surface Tension: 41.3 dyne/cm; (16)Enthalpy of Vaporization: 51.9 kJ/mol; (17)Vapour Pressure: 0.00383 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N=C(NCc1ccccc1)SC
(2)InChI: InChI=1/C9H12N2S/c1-12-9(10)11-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,10,11)
(3)InChIKey: UFFSEUJJXSJCAV-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C9H12N2S/c1-12-9(10)11-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,10,11)
(5)Std. InChIKey: UFFSEUJJXSJCAV-UHFFFAOYSA-N

Product Name

N-(Phenylmethyl)carbamimidothioic acid methyl ester

N-(Phenylmethyl)carbamimidothioic acid methyl ester Specification

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