chempirical

N-Benzyloxycarbonylglycine thioamide

C10H12N2O2SCAS 49548-40-5224.28 g/mol

Open in Covalent MOL file
OOHNSNH2
Carbamate

Properties

Molecular formula
C10H12N2O2S
Molar mass
224.28 g/mol
Exact mass
224.0619 Da
logP
1.20Crippen estimate
Polar surface area
64.3 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
49548-40-5
SMILES
C1=CC=C(C=C1)COC(=O)NCC(=S)N
InChIKey
NWHXDCPLGZXNOR-UHFFFAOYSA-N
InChI
InChI=1S/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)

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Work with N-Benzyloxycarbonylglycine thioamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Benzyl N-(2-hydroxyethyl)carbamate77987-49-656 % similar N-Carbobenzoxyaminoacetonitrile3589-41-155 % similar Benzyl N-(2-aminoethyl)carbamate hydrochloride18807-71-155 % similar Carbobenzoxyglycylglycine2566-19-054 % similar Benzyl N-(3-hydroxypropyl)carbamate34637-22-452 % similar Benzyl (3-Oxopropyl)carbamate65564-05-852 % similar Benzyl N-(3-aminopropyl)carbamate hydrochloride17400-34-952 % similar 5-(Carbobenzoxyamino)valeric acid23135-50-448 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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