N-Benzyloxycarbonylglycine thioamide

HCID 2756641
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Basic information

CAS
49548-40-5
Standard SMILES
NC(=S)CNC(=O)OCc1ccccc1
InChIKey
NWHXDCPLGZXNOR-UHFFFAOYSA-N
Molecular formula
C10H12N2O2S
Average molar mass
224.28 g/mol
Monoisotopic mass
224.06194862

Overview

See also: N-benzyloxycarbonylglycine thionamide (annotation moved to).

Names & identifiers

Preferred name
N-Benzyloxycarbonylglycine thioamide
IUPAC
benzyl N-(2-amino-2-sulfanylideneethyl)carbamate
English name
N-BENZYLOXYCARBONYLGLYCINE THIOAMIDE
Molecular formula
C10H12N2O2S
Molecular weight
224.28

Names & synonyms

N-Benzyloxycarbonylglycine thioamide49548-40-5BENZYL (2-AMINO-2-THIOXOETHYL)CARBAMATEMFCD03452777benzyl N-(2-amino-2-sulfanylideneethyl)carbamatebenzyl N-(carbamothioylmethyl)carbamateN-(2-amino-2-sulfanylideneethyl)carbamic acid (phenylmethyl) esterN-(2-amino-2-thioxoethyl)(phenylmethoxy)carboxamideBenzyl (2-amino-2-thioxoethyl) Carbamate; Phenylmethyl (2-Amino-2-thioxoethyl)carbamate; Phenylmethyl N-(2-Amino-2-thioxoethyl)carbamateN-Cbz glycine thioamide2-(Cbz-amino)ethanethioamideSCHEMBL1337448
Show more names
Benzyl 2-oxo-2-thionitrosoethylcarbamateN-Benzyloxycarbonyl-glycine-carbothioaMideN(ɑ)-Benzyloxycarbonylglycine thioamide, 99%N(^a)-Benzyloxycarbonylglycine thioamide, 99%N-BENZYLOXYCARBONYLGLYCINE THIOAMIDE USP/EP/BPN(α)-Benzyloxycarbonylglycine thioamide, CAS 49548-40-5Carbamic acid, N-(2-amino-2-thioxoethyl)-, phenylmethyl ester
benzyloxycarbonylaminothioacetamideDTXSID80373461NWHXDCPLGZXNOR-UHFFFAOYSA-NCarbamic acid, (2-amino-2-thioxoethyl)-, phenylmethyl esterSBB028152AKOS005255004SB80215AC-17169

Database identifiers

CAS
49548-40-5
PubChem CID
2756641
DTXSID
DTXSID80373461
Nikkaji
J1.169.207I

Properties

Computed structural properties

XLogP
1
Topological polar surface area
96.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
15

Physicochemical properties

Melting point
144 °C · 144 °C
Density
1.272 · 1.272±0.06 g/cm3(Predicted)
storage temp.
Refrigerator, under inert atmosphere
solubility
Acetonitrile (Slightly), Chloroform (Slightly)
form
Solid
pka
11.14 · 11.14±0.46(Predicted)

Safety & regulation

Safety data

hs_code
2930909899
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H335-H319
Precautionary statements
P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Applications

UsesN-Benzyloxycarbonylglycine Thioamide can be prepared to use as antibacterial agents.

Upstream & downstream products

Suppliers39 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

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