Diethylthiocarbamoyl chloride

C₅H₁₀ClNSCAS 88-11-9151.65 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₁₀ClNS
Molar mass: 151.65 g/mol
Exact mass: 151.0222 Da
Melting point: 47–49 °C
Boiling point: 113 °C (at 10 Torr)
logP: 1.85Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

88-11-9

SMILES

CCN(CC)C(=S)Cl

InChIKey

HUUSTUALCPTCGJ-UHFFFAOYSA-N

InChI

InChI=1S/C5H10ClNS/c1-3-7(4-2)5(6)8/h3-4H2,1-2H3

Weigh it out

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

Names and synonyms

9 names

Carbamothioic chloride, N,N-diethyl-
Carbamoyl chloride, diethylthio-
Carbamothioic chloride, diethyl-
N,N-Diethylcarbamothioic chloride
Diethylthiocarbamyl chloride
N,N-Diethylthiocarbamoyl chloride
Diethylcarbamothioyl chloride
NSC 379476
(Chloromethanethioyl)diethylamine

Reactions

DIETHYLTHIOCARBAMYL CHLORIDE (Carbamoyl chloride, diethylthio-)product

Work with Diethylthiocarbamoyl 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

Diethylcarbamoyl chloride88-10-844 % similar Tetraethylthiuram disulfide97-77-844 % similar Dimethylthiocarbamoyl chloride16420-13-643 % similar Sulfallate95-06-739 % similar Cadmium diethyldithiocarbamate14239-68-039 % similar Zinc diethyldithiocarbamate14324-55-139 % similar Silver diethyldithiocarbamate1470-61-739 % similar Sodium diethyldithiocarbamate148-18-539 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook