chempirical

4-Chlorothiobenzamide

C7H6ClNSCAS 2521-24-6171.64 g/mol

Open in Covalent MOL file
SH2NCl
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
2521-24-6
SMILES
C1=CC(=CC=C1C(=S)N)Cl
InChIKey
OKPUICCJRDBRJT-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClNS/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)

Weigh it out

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

Work with 4-Chlorothiobenzamide

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

4-Aminobenzenecarbothioamide4714-67-458 % similar 4-Fluorothiobenzamide22179-72-256 % similar 4-Methylbenzenecarbothioamide2362-62-156 % similar 4-Hydroxythiobenzamide25984-63-856 % similar 4-Bromothiobenzamide26197-93-356 % similar 4-Pyridinecarbothioamide2196-13-652 % similar 4-Chlorobenzamide619-56-752 % similar 4-(Trifluoromethyl)benzenecarbothioamide72505-21-652 % similar

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

Same formula

2-Chlorothiobenzamide15717-17-6 3-Chloro-thiobenzamide2548-79-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook