chempirical

2-Chlorothiobenzamide

C7H6ClNSCAS 15717-17-6171.64 g/mol

Open in Covalent MOL file
SNH2Cl
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
15717-17-6
SMILES
C1=CC=C(C(=C1)C(=S)N)Cl
InChIKey
FLQYOORLPNYQEV-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClNS/c8-6-4-2-1-3-5(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 2-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

2,3-Dichloro-thiobenzamide84863-83-271 % similar 2,4-Dichloro-thiobenzamide2775-38-463 % similar 2-Fluorothiobenzamide75907-82-355 % similar 1,2-Bis(2-chlorophenyl)-1,2-ethanedione21854-95-548 % similar 3-Chloro-4-fluorothiobenzamide130560-97-346 % similar 2-Chlorobenzoyl chloride609-65-445 % similar 2,4-Difluorobenzene-1-carbothioamide175276-92-344 % similar 2-Chlorobenzoic acid hydrazide5814-05-144 % similar

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

Same formula

4-Chlorothiobenzamide2521-24-6 3-Chloro-thiobenzamide2548-79-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook