N-(Phenylmethyl)carbamimidothioic acid methyl ester (68695-62-5)

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: 61.18Ų; (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