5-Chloro-3-methylbenzo[b]thiophene-2-sulfonyl chloride

C9H6Cl2O2S2CAS 166964-33-6281.17 g/mol

Open in Covalent MOL file
SOOClSCl
Aryl halide

Properties

Molecular formula
C9H6Cl2O2S2
Molar mass
281.17 g/mol
Exact mass
279.9186 Da
logP
3.79Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, P501

Identifiers

CAS number
166964-33-6
SMILES
Cc1c(S(=O)(=O)Cl)sc2ccc(Cl)cc12
InChIKey
JLTUANWNGKWRQO-UHFFFAOYSA-N
InChI
InChI=1S/C9H6Cl2O2S2/c1-5-7-4-6(10)2-3-8(7)14-9(5)15(11,12)13/h2-4H,1H3

Weigh it out

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

Names and synonyms

6 names
  • Benzo[b]thiophene-2-sulfonyl chloride, 5-chloro-3-methyl-
  • 5-Chloro-2-(chlorosulfonyl)-3-methylbenzo[b]thiophene
  • 5-Chloro-3-methyl-2-benzo[b]thiophenesulfonyl chloride
  • 5-Chloro-3-methylbenzothiophene-2-sulfonyl chloride
  • 5-Chloro-3-methyl-1-benzothiophene-2-sulfonyl chloride
  • 5-Chloro-3-methylbenzo(b)thiophene-2-sulfonyl chloride

Work with 5-Chloro-3-methylbenzo[b]thiophene-2-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-Bromo-5-chloro-3-methylbenzo(b)thiophene175203-60-854 % similar 2-Acetyl-5-chloro-3-methylthianaphthene51527-18-551 % similar 2,4-Dichlorobenzenesulfonyl chloride16271-33-340 % similar 2,5-Dichlorobenzenesulfonyl chloride5402-73-340 % similar 2-Chlorothioxanthone86-39-540 % similar 6-Chloronaphthalene-2-sulfonyl chloride102153-63-940 % similar 5-Chloro-3-methylbenzo[b]thiophene19404-18-340 % similar 3-Chloro-2-methylbenzenesulfonyl chloride80563-86-640 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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