chempirical

Chlorthiamide

C7H5Cl2NSCAS 1918-13-4206.08 g/mol

Open in Covalent MOL file
HNHSClCl
Aryl halideThiol

Properties

Molecular formula
C7H5Cl2NS
Molar mass
206.08 g/mol
Exact mass
204.9520 Da
Melting point
151 °C
logP
3.25Crippen estimate
Polar surface area
23.9 Ų
H-bond donors / acceptors
2 / 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
1918-13-4
SMILES
N=C(S)c1c(Cl)cccc1Cl
InChIKey
KGKGSIUWJCAFPX-UHFFFAOYSA-N
InChI
InChI=1S/C7H5Cl2NS/c8-4-2-1-3-5(9)6(4)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

10 names
  • Benzenecarbothioamide, 2,6-dichloro-
  • Benzamide, 2,6-dichlorothio-
  • 2,6-Dichlorobenzenecarbothioamide
  • SD 7961
  • Chlorthiamid
  • 2,6-Dichlorothiobenzamide
  • Prefix
  • DCBN
  • Prefix (chlorthiamid)
  • 2,6-Dichlorobenzene-1-carbothioamide

Work with Chlorthiamide

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

2,6-Dichlorobenzamide2008-58-450 % similar Thiobenzamide2227-79-444 % similar 3-Methylbenzenecarbothioamide2362-63-244 % similar (2-Chlorophenyl)thiourea5344-82-142 % similar 2,6-Dichlorobenzoyl chloride4659-45-441 % similar 2-Chloro-6-fluorobenzamide66073-54-941 % similar 2′,6′-Dichloroacetophenone2040-05-340 % similar 2,6-Dichlorobenzoic acid50-30-640 % similar

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

Same formula

2,4-Dichloro-thiobenzamide2775-38-4 2,3-Dichloro-thiobenzamide84863-83-2

Elsewhere

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