2,3-Dichlorothiophene

C₄H₂Cl₂SCAS 17249-79-5153.02 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₂Cl₂S
Molar mass: 153.02 g/mol
Exact mass: 151.9254 Da
logP: 3.05Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed91.1% of notifiers
H318 Causes serious eye damage88.9% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled88.9% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P264, P264+P265, P270, P271, P280, P284, P301+P316, P304+P340, P305+P354+P338, P317, P321, P330, P342+P316, P403, P405, P501

Identifiers

CAS number

17249-79-5

SMILES

C1=CSC(=C1Cl)Cl

InChIKey

LVNVLQIXMBTMPH-UHFFFAOYSA-N

InChI

InChI=1S/C4H2Cl2S/c5-3-1-2-7-4(3)6/h1-2H

Weigh it out

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

Names and synonyms

1 names

Thiophene, 2,3-dichloro-

Work with 2,3-Dichlorothiophene

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-Chloro-3-methylthiophene14345-97-250 % similar 3-Bromo-2-chlorothiophene40032-73-350 % similar B-(2-Chloro-3-thienyl)boronic acid177734-82-644 % similar 3-Chlorothiophene-2-carbaldehyde67482-48-844 % similar 3-Chlorothiophene-2-carbonyl chloride86427-02-341 % similar 4-Chlorobenzo[b]thiophene66490-33-341 % similar 2-Chloro-3-nitrothiophene5330-98-340 % similar 3-Chlorothiophene-2-carboxylic acid59337-89-240 % similar

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

Same formula

2,5-Dichlorothiophene173777-89-4 2,5-Dichlorothiophene3172-52-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook