1-Benzoyl-2-thiobiuret

C₉H₉N₃O₂SCAS 41835-24-9223.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₉N₃O₂S
Molar mass: 223.25 g/mol
Exact mass: 223.0415 Da
logP: 0.37Crippen estimate
Polar surface area: 84.2 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 1

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

41835-24-9

SMILES

C1=CC=C(C=C1)C(=O)NC(=S)NC(=O)N

InChIKey

XZWNNLCHQSTQJP-UHFFFAOYSA-N

InChI

InChI=1S/C9H9N3O2S/c10-8(14)12-9(15)11-7(13)6-4-2-1-3-5-6/h1-5H,(H4,10,11,12,13,14,15)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 1-Benzoyl-2-thiobiuret

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

1-Phenyl-2-thiobiuret53555-72-961 % similar 1-Benzoyl-3-(2-pyridyl)-2-thiourea4921-86-252 % similar N-(4-Aminophenyl)benzamide17625-83-139 % similar N-tert-Butylbenzamide5894-65-538 % similar p-Phenylbenzoic acid hydrazide18622-23-638 % similar 2-Aminoacetophenone613-89-835 % similar Tenovin-1380315-80-035 % similar Benzoylcyclopropane3481-02-534 % similar

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

Same formula

1-(4-Methylphenylsulfonyl)-1,2,4-triazole13578-51-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook