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

Name
N-BENZYLOXYCARBONYLGLYCINE THIOAMIDE
EINECS
CAS No. 49548-40-5
Article Data16
CAS DataBase
Density 1.272 g/cm³
Solubility
Melting Point 144 °C
Formula C₁₀H₁₂N₂O₂S
Boiling Point
Molecular Weight 224.283
Flash Point
Transport Information
Appearance
Safety
Risk Codes R20; R59; R23/25; R11; R39/23/24/25; R2
Molecular Structure
Hazard Symbols Xn,N,Xi,T,F
Synonyms Benzyl (2-amino-2-thioxoethyl)carbamate;
PSA 96.44000
LogP 2.29010

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^-24cm³; (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

Product Name

N-BENZYLOXYCARBONYLGLYCINE THIOAMIDE

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

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