chempirical

2,3-Dichloro-thiobenzamide

C7H5Cl2NSCAS 84863-83-2206.08 g/mol

Open in Covalent MOL file
ClClSNH2
Aryl halide

Properties

Molecular formula
C7H5Cl2NS
Molar mass
206.08 g/mol
Exact mass
204.9520 Da
logP
2.63Crippen 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
84863-83-2
SMILES
C1=CC(=C(C(=C1)Cl)Cl)C(=S)N
InChIKey
PRRMJTDPKZBCCQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H5Cl2NS/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H2,10,11)

Weigh it out

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

Names and synonyms

1 names
  • 2,3-Dichlorothiobenzamide

Work with 2,3-Dichloro-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

2-Chlorothiobenzamide15717-17-671 % similar 2,3-Dichlorobenzoyl chloride2905-60-448 % similar 2,3-Dichlorobenzoic acid50-45-347 % similar 1-(2,3-Dichlorophenyl)ethanone56041-57-747 % similar 2-Fluorothiobenzamide75907-82-347 % similar 1,2,3-Trichlorobenzene87-61-646 % similar 3-Chloro-thiobenzamide2548-79-044 % similar 3-Chloro-4-fluorothiobenzamide130560-97-343 % similar

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

Same formula

Chlorthiamide1918-13-4 2,4-Dichloro-thiobenzamide2775-38-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook