Dimethylthiocarbamoyl chloride

C₃H₆ClNSCAS 16420-13-6123.60 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H290 May be corrosive to metals13.2% of notifiers
H302 Harmful if swallowed83% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H317 May cause an allergic skin reaction83% of notifiers
H318 Causes serious eye damage15.1% of notifiers

Aggregated from 53 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P234, P260, P261, P264, P264+P265, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P390, P405, P406, P501

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

Weigh it out

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

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

Diethylthiocarbamoyl chloride88-11-943 % similar Tetramethylthiourea2782-91-442 % similar Thiram137-26-836 % similar Dimethylcarbamoyl chloride79-44-736 % similar Tetramethylthiuram sulfide97-74-536 % similar 1-Chloro-N,N-2-trimethylpropenylamine26189-59-335 % similar Tetrakis(dimethylamino)ethylene996-70-333 % similar Potassium dimethyldithiocarbamate128-03-032 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia