Dimethyl-1,3-thiazole-5-sulfonyl chloride

C₅H₆ClNO₂S₂CAS 80466-80-4211.68 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₆ClNO₂S₂
Molar mass: 211.68 g/mol
Exact mass: 210.9528 Da
logP: 1.69Crippen estimate
Polar surface area: 47.0 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 2 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

80466-80-4

SMILES

Cc1nc(C)c(S(=O)(=O)Cl)s1

InChIKey

GFFJSTHQILQFNQ-UHFFFAOYSA-N

InChI

InChI=1S/C5H6ClNO2S2/c1-3-5(11(6,8)9)10-4(2)7-3/h1-2H3

Weigh it out

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

Names and synonyms

4 names

2,4-Dimethylthiazole-5-sulfonyl chloride
5-Thiazolesulfonyl chloride, 2,4-dimethyl-
2,4-Dimethyl-5-thiazolesulfonyl chloride
2,4-Dimethyl-1,3-thiazole-5-sulfonyl chloride

Work with Dimethyl-1,3-thiazole-5-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

5-Bromo-2,4-dimethyl-1,3-thiazole28599-52-244 % similar 2,4,5-Trimethylthiazole13623-11-542 % similar 5-Acetyl-2,4-dimethylthiazole38205-60-638 % similar Dimethyl-1,3-thiazole-5-carboxylic acid53137-27-237 % similar 3,5-Dimethylisoxazole-4-sulfonyl chloride80466-79-137 % similar 1,3,5-Trimethyl-1H-pyrazole-4-sulfonyl chloride59340-27-136 % similar 5-Chloro-3-methylbenzo[b]thiophene-2-sulfonyl chloride166964-33-633 % similar Pentamethylbenzenesulfonyl chloride52499-94-233 % similar

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

Elsewhere

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