chempirical

2-Chloro-5-(chloromethyl)thiophene

C5H4Cl2SCAS 23784-96-5167.05 g/mol

Open in Covalent MOL file
ClClS
Alkyl halideAryl halide

Properties

Molecular formula
C5H4Cl2S
Molar mass
167.05 g/mol
Exact mass
165.9411 Da
Density
1.385 g/mL (at 25 °C)
Boiling point
67–68 °C (at 1 Torr)
logP
3.14Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
23784-96-5
SMILES
ClCc1ccc(Cl)s1
InChIKey
MQTKXCOGYOYAMW-UHFFFAOYSA-N
InChI
InChI=1S/C5H4Cl2S/c6-3-4-1-2-5(7)8-4/h1-2H,3H2

Weigh it out

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

Names and synonyms

3 names
  • Thiophene, 2-chloro-5-(chloromethyl)-
  • 5-Chloro-2-(chloromethyl)thiophene
  • 2-(Chloromethyl)-5-chlorothiophene

Work with 2-Chloro-5-(chloromethyl)thiophene

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

2,5-Dichlorothiophene3172-52-952 % similar 2-Bromo-5-chlorothiophene2873-18-941 % similar 2-Chloro-5-(chloromethyl)thiazole105827-91-640 % similar 5-Chloro-2-thiophenecarboxylic acid24065-33-638 % similar 5-Chloro-2-thiophenecarboxaldehyde7283-96-737 % similar 5-Chloro-2-thiophenesulfonyl chloride2766-74-734 % similar 5-Chloro-2-thiophenesulfonamide53595-66-733 % similar Xylylene dichloride623-25-633 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook