chempirical

Clomethiazole

C6H8ClNSCAS 533-45-9161.65 g/mol

Open in Covalent MOL file
NSCl
Alkyl halide

Properties

Molecular formula
C6H8ClNS
Molar mass
161.65 g/mol
Exact mass
161.0066 Da
Density
1.233 g/mL (at 25 °C)
Melting point
127–128 °C
Boiling point
92 °C
logP
2.23Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
533-45-9
SMILES
Cc1ncsc1CCCl
InChIKey
PCLITLDOTJTVDJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H8ClNS/c1-5-6(2-3-7)9-4-8-5/h4H,2-3H2,1H3

Weigh it out

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

Names and synonyms

12 names
  • Thiazole, 5-(2-chloroethyl)-4-methyl-
  • 5-(2-Chloroethyl)-4-methylthiazole
  • Chlorethiazol
  • Chlormethiazole
  • Distraneurin
  • 4-Methyl-5-(β-chloroethyl)thiazole
  • Chlormethiazol
  • Chlorethiazole
  • Clomethiazolum
  • Emineurina
  • Somnevrin
  • 5-(β-Chloroethyl)-4-methylthiazole

Work with Clomethiazole

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

4-Methyl-5-(2-hydroxyethyl)thiazole137-00-861 % similar 5-(2-Acetoxyethyl)-4-methylthiazole656-53-150 % similar 2-(4-Methyl-5-thiazolyl)ethyl butanoate94159-31-644 % similar 4,5-Dimethylthiazole3581-91-743 % similar 2-(4-Methyl-1,3-thiazol-5-yl)ethyl hexanoate94159-32-741 % similar 2-(4-Methyl-1,3-thiazol-5-yl)ethyl decanoate101426-31-740 % similar 4-Methyl-5-thiazolecarboxaldehyde82294-70-038 % similar 4-Methyl-5-vinylthiazole1759-28-037 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook