2-Thiophenesulfonyl chloride

C4H3ClO2S2CAS 16629-19-9182.64 g/mol

Open in Covalent MOL file
OSOClS

Properties

Molecular formula
C4H3ClO2S2
Molar mass
182.64 g/mol
Exact mass
181.9263 Da
Melting point
28 °C
Boiling point
123–125 °C
logP
1.68Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
16629-19-9
SMILES
O=S(=O)(Cl)c1cccs1
InChIKey
VNNLHYZDXIBHKZ-UHFFFAOYSA-N
InChI
InChI=1S/C4H3ClO2S2/c5-9(6,7)4-2-1-3-8-4/h1-3H

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Names and synonyms

2 names
  • 2-Thienylsulfonyl chloride
  • 2-(Chlorosulfonyl)thiophene

Work with 2-Thiophenesulfonyl 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Methylsulfonylthiophene38695-60-252 % similar 2-Thiophenesulfonamide6339-87-352 % similar 2-Benzenesulfonylthiophene22407-40-548 % similar 5-Chloro-2-thiophenesulfonyl chloride2766-74-745 % similar 1,2-Benzenedisulfonyl dichloride6461-76-344 % similar 1-Benzothiophene-2-sulfonyl chloride90001-64-244 % similar 5-Bromothiophene-2-sulfonyl chloride55854-46-144 % similar 4-(Phenylsulfonyl)-2-thiophenesulfonyl chloride160233-28-343 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook