2,5-Dichlorothiophene-3-sulfonyl chloride

C₄HCl₃O₂S₂CAS 56946-83-9251.52 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄HCl₃O₂S₂
Molar mass: 251.52 g/mol
Exact mass: 249.8484 Da
logP: 2.98Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage84.8% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

56946-83-9

SMILES

C1=C(SC(=C1S(=O)(=O)Cl)Cl)Cl

InChIKey

JJKSHSHZJOWSEC-UHFFFAOYSA-N

InChI

InChI=1S/C4HCl3O2S2/c5-3-1-2(4(6)10-3)11(7,8)9/h1H

Weigh it out

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

Work with 2,5-Dichlorothiophene-3-sulfonyl chloride

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-Dichloro-3-thiophenesulfonamide53595-68-959 % similar 5-Chloro-2-thiophenesulfonyl chloride2766-74-745 % similar 2,4,5-Trichlorobenzenesulfonyl chloride15945-07-044 % similar 2-Chlorobenzenesulfonyl chloride2905-23-942 % similar 2,5-Dichloro-3-methylthiophene17249-90-041 % similar 1,5-Naphthalenedisulfonyl chloride1928-01-441 % similar 1,2-Benzenedisulfonyl dichloride6461-76-340 % similar 2,3-Dichlorobenzenesulfonyl chloride82417-45-640 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3-Dichlorothiophene-5-sulphonyl chloride126714-85-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook