CAS No.49548-40-5,N-BENZYLOXYCARBONYLGLYCINE THIOAMIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	49548-40-5
Name:	N-BENZYLOXYCARBONYLGLYCINE THIOAMIDE
Article Data:	16

Formula:	C₁₀H₁₂N₂O₂S
Molecular Weight:	224.283
Synonyms:	Benzyl (2-amino-2-thioxoethyl)carbamate;
Density:	1.272 g/cm³
Melting Point:	144 °C
Hazard Symbols:	Xn,N,Xi,T,F
Risk Codes:	R20; R59; R23/25; R11; R39/23/24/25; R2
PSA:	96.44000
LogP:	2.29010

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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