chempirical

Dimethylthiocarbamoyl chloride

C3H6ClNSCAS 16420-13-6123.60 g/mol

Open in Covalent MOL file
NSCl

Properties

Molecular formula
C3H6ClNS
Molar mass
123.60 g/mol
Exact mass
122.9909 Da
Melting point
42.5 °C
Boiling point
102 °C (at 12 Torr)
logP
1.07Crippen estimate
Polar surface area
3.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
16420-13-6
SMILES
CN(C)C(=S)Cl
InChIKey
PHWISQNXPLXQRU-UHFFFAOYSA-N
InChI
InChI=1S/C3H6ClNS/c1-5(2)3(4)6/h1-2H3

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Names and synonyms

15 names · show all
  • Carbamothioic chloride, N,N-dimethyl-
  • Carbamoyl chloride, dimethylthio-
  • Carbamothioic chloride, dimethyl-
  • Carbamyl chloride, dimethylthio-
  • N,N-Dimethylcarbamothioic chloride
  • N,N-Dimethylthiocarbamoyl chloride
  • N,N-Dimethylthiocarbamyl chloride
  • Dimethylcarbamothioyl chloride
  • 1-Chloro-N,N-dimethylthioformamide
  • N,N-Dimethylthiocarbamic acid chloride
  • N,N′-Dimethylchlorothioformamide
  • N,N-Dimethylchlorothiocarbamate
  • Dimethylcarbamothioic chloride
  • N,N-Dimethylcarbamothioyl chloride
  • (Chloromethanethioyl)dimethylamine

Work with Dimethylthiocarbamoyl chloride

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

Tetramethylthiourea2782-91-442 % similar Thiram137-26-836 % similar Dimethylcarbamoyl chloride79-44-736 % similar Tetramethylthiuram sulfide97-74-536 % similar Tetrakis(dimethylamino)ethylene996-70-333 % similar Potassium dimethyldithiocarbamate128-03-032 % similar Sodium dimethyldithiocarbamate128-04-132 % similar Copper dimethyldithiocarbamate137-29-132 % similar

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

Elsewhere

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