3-Methyl-8-quinolinesulfonyl chloride

C₁₀H₈ClNO₂SCAS 74863-82-4241.69 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₈ClNO₂S
Molar mass: 241.69 g/mol
Exact mass: 240.9964 Da
logP: 2.47Crippen estimate
Polar surface area: 47.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage50% of notifiers
H318 Causes serious eye damage50% of notifiers
H319 Causes serious eye irritation33.3% of notifiers

Aggregated from 6 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+P351+P338, P305+P354+P338, P316, P317, P321, P337+P317, P363, P405, P501

Identifiers

CAS number

74863-82-4

SMILES

Cc1cnc2c(S(=O)(=O)Cl)cccc2c1

InChIKey

XCMAYGDQKTWICK-UHFFFAOYSA-N

InChI

InChI=1S/C10H8ClNO2S/c1-7-5-8-3-2-4-9(15(11,13)14)10(8)12-6-7/h2-6H,1H3

Weigh it out

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

Names and synonyms

4 names

8-Quinolinesulfonyl chloride, 3-methyl-
8-Chlorosulfonyl-3-methylquinoline
3-Methyl-8-quinolinesulphonyl chloride
3-Methylquinoline-8-sulfonyl Chloride

Work with 3-Methyl-8-quinolinesulfonyl 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

8-Quinolinesulfonyl chloride18704-37-559 % similar 3-Chloro-2-methylbenzenesulfonyl chloride80563-86-646 % similar 5-Isoquinolinesulfonyl chloride84468-15-545 % similar 1-Naphthalenesulfonyl chloride85-46-145 % similar M-Toluenesulfonyl chloride1899-93-044 % similar 2-Chlorobenzenesulfonyl chloride2905-23-944 % similar 2,1,3-Benzoxadiazole-4-sulfonyl chloride114322-14-443 % similar 2,1,3-Benzothiadiazole-4-sulfonyl chloride73713-79-843 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 2-chloro-6-benzothiazolecarboxylate78485-37-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook