2-Chloro-3-methylthiophene

C5H5ClSCAS 14345-97-2132.61 g/mol

Open in Covalent MOL file
SCl
Aryl halide

Properties

Molecular formula
C5H5ClS
Molar mass
132.61 g/mol
Exact mass
131.9800 Da
Melting point
153–157 °C
Boiling point
53–54 °C (at 15 Torr)
logP
2.71Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)Irritant (GHS07)

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P321, P330, P362+P364, P370+P378, P403+P235, P501

Identifiers

CAS number
14345-97-2
SMILES
Cc1ccsc1Cl
InChIKey
KQFADYXPELMVHE-UHFFFAOYSA-N
InChI
InChI=1S/C5H5ClS/c1-4-2-3-7-5(4)6/h2-3H,1H3

Weigh it out

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

Names and synonyms

1 names
  • Thiophene, 2-chloro-3-methyl-

Work with 2-Chloro-3-methylthiophene

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

2,3-Dichlorothiophene17249-79-550 % similar 2,3-Dimethylthiophene632-16-650 % similar 3-Methylthiophene-2-carbonitrile55406-13-846 % similar 2-Bromo-3-methylthiophene14282-76-946 % similar 3-Bromo-2-chlorothiophene40032-73-346 % similar 3-Methylthiophene-2-carbonyl chloride61341-26-242 % similar (3-Methyl-2-thienyl)methylamine104163-35-141 % similar 2-Chlorothiophene-3-boronic acid177734-82-641 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-5-methylthiophene17249-82-0 2-chloromethylThiophene765-50-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook