chempirical

3-Chloro-thiobenzamide

C7H6ClNSCAS 2548-79-0171.64 g/mol

Open in Covalent MOL file
ClSNH2
Aryl halide

Properties

Molecular formula
C7H6ClNS
Molar mass
171.64 g/mol
Exact mass
170.9909 Da
logP
1.97Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
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
2548-79-0
SMILES
C1=CC(=CC(=C1)Cl)C(=S)N
InChIKey
OQEBJXXIPHYYEG-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClNS/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)

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Names and synonyms

1 names
  • Benzenecarbothioamide, 3-chloro-

Work with 3-Chloro-thiobenzamide

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

3-Hydroxy-thiobenzamide104317-54-658 % similar 3-(Trifluoromethyl)thiobenzamide53515-17-655 % similar 2,4-Dichloro-thiobenzamide2775-38-452 % similar 3-Chloro-4-fluorothiobenzamide130560-97-349 % similar 3-Chlorobenzoyl chloride618-46-247 % similar 3-Chlorobenzohydrazide1673-47-846 % similar 3-Chlorobenzophenone1016-78-045 % similar 3-Chlorobenzoic acid535-80-845 % similar

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

Same formula

2-Chlorothiobenzamide15717-17-6 4-Chlorothiobenzamide2521-24-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook