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Carbamic acid,N-(2-amino-2-thioxoethyl)-, phenylmethyl ester

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Name

Carbamic acid,N-(2-amino-2-thioxoethyl)-, phenylmethyl ester

EINECS N/A
CAS No. 49548-40-5 Density 1.272 g/cm3
PSA 96.44000 LogP 2.29010
Solubility N/A Melting Point 144 °C
Formula C10H12N2O2S Boiling Point N/A
Molecular Weight 224.283 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes R20; R59; R23/25; R11; R39/23/24/25; R2
Molecular Structure Molecular Structure of 49548-40-5 (N-BENZYLOXYCARBONYLGLYCINE THIOAMIDE) Hazard Symbols Xn,N,Xi,T,F
Synonyms

Benzyl (2-amino-2-thioxoethyl)carbamate;

Article Data 16

Carbamic acid,N-(2-amino-2-thioxoethyl)-, phenylmethyl ester Specification

The Carbamic acid,N-(2-amino-2-thioxoethyl)-, phenylmethyl ester, with the CAS registry number 49548-40-5, is also known as Benzyl (2-amino-2-thioxoethyl)carbamate. This chemical's molecular formula is C10H12N2O2S and molecular weight is 224.2795. What's more, its IUPAC name is Benzyl N-(2-amino-2-sulfanylideneethyl)carbamate.

Physical properties about Carbamic acid,N-(2-amino-2-thioxoethyl)-, phenylmethyl ester are: (1)ACD/LogP: 1.39; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.39; (4)ACD/LogD (pH 7.4): 1.39; (5)ACD/BCF (pH 5.5): 6.73; (6)ACD/BCF (pH 7.4): 6.73; (7)ACD/KOC (pH 5.5): 136.22; (8)ACD/KOC (pH 7.4): 136.16; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 64.87 Å2; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 61.26 cm3; (15)Molar Volume: 176.2 cm3; (16)Polarizability: 24.28×10-24 cm3; (17)Surface Tension: 60.6 dyne/cm; (18): Melting Point: 144 °C; (19)Density: 1.272 g/cm3.

When you are dealing with this chemical, you should be very careful. This chemical is harmful to water, so don’t pour the chemical into water and surroundings. In addition, it should be sealed up and stored in condition of dry and cool.

You can still convert the following datas into molecular structure:
(1) SMILES: S=C(N)CNC(=O)OCc1ccccc1
(2) InChI: InChI=1/C10H12N2O2S/c11-9(15)6-12-10(13)14-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,15)(H,12,13)
(3) InChIKey: NWHXDCPLGZXNOR-UHFFFAOYAV

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