chempirical

Sulfallate

C8H14ClNS2CAS 95-06-7223.78 g/mol

Open in Covalent MOL file
ClSSN
AlkeneSulfideVinyl halide

Properties

Molecular formula
C8H14ClNS2
Molar mass
223.78 g/mol
Exact mass
223.0256 Da
Density
1.088 g/mL (at 25 °C)
Boiling point
128–130 °C
logP
3.10Crippen estimate
Polar surface area
3.2 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Identifiers

CAS number
95-06-7
SMILES
C=C(Cl)CSC(=S)N(CC)CC
InChIKey
XJCLWVXTCRQIDI-UHFFFAOYSA-N
InChI
InChI=1S/C8H14ClNS2/c1-4-10(5-2)8(11)12-6-7(3)9/h3-6H2,1-2H3

Weigh it out

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

Names and synonyms

15 names · show all
  • Carbamodithioic acid, N,N-diethyl-, 2-chloro-2-propen-1-yl ester
  • Carbamic acid, diethyldithio-, 2-chloroallyl ester
  • Carbamodithioic acid, diethyl-, 2-chloro-2-propenyl ester
  • CP 4,742
  • Chlorallyl diethyldithiocarbamate
  • 2-Chloroallyl N,N-diethyldithiocarbamate
  • 2-Chloroallyl diethyldithiocarbamate
  • Diethyldithiocarbamic acid 2-chloroallyl ester
  • Vegadex
  • CDEC
  • Thioallate
  • Vegadex super
  • 2-Chlorallyl diethyldithiocarbamate
  • NSC 16085
  • 2-Chloroallyl diethylcarbamodithioate

Work with Sulfallate

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Tetraethylthiuram disulfide97-77-848 % similar 3-Ethylrhodanine7648-01-339 % similar Diethylcarbamoyl chloride88-10-831 % similar Diethyldiphenylthiuram disulfide41365-24-631 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook