chempirical

4-Methylbenzene-1-sulfinyl chloride

C7H7ClOSCAS 10439-23-3174.64 g/mol

Open in Covalent MOL file
SOCl

Properties

Molecular formula
C7H7ClOS
Molar mass
174.64 g/mol
Exact mass
173.9906 Da
logP
2.26Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

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

Precautionary statements

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, P501

Identifiers

CAS number
10439-23-3
SMILES
CC1=CC=C(C=C1)S(=O)Cl
InChIKey
DYYLCPSSSFWEEA-UHFFFAOYSA-N
InChI
InChI=1S/C7H7ClOS/c1-6-2-4-7(5-3-6)10(8)9/h2-5H,1H3

Weigh it out

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

Names and synonyms

6 names
  • 4-Methylbenzenesulfinyl chloride
  • Benzenesulfinyl chloride, 4-methyl-
  • 4-Methylbenzene-1-sulfinic Chloride
  • 4-Methylbenzenesulfinylchloride
  • 4-Methyl-benzenesulfinyl chloride
  • 4H-Thieno[3,2-b]pyrrole-5-carboxylic acid methyl ester

Work with 4-Methylbenzene-1-sulfinyl 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

1,1′-Sulfinylbis[4-methylbenzene]1774-35-256 % similar (S)-4-Methylbezenesulfinamide188447-91-850 % similar (R)-(-)-p-Toluenesulfinamide247089-85-650 % similar Zinc 4-methylbenzenesulfinate24345-02-645 % similar Sodium p-toluenesulfinate824-79-345 % similar P-Xylene106-42-343 % similar P-Toluenesulfinic acid sodium salt tetrahydrate868858-48-441 % similar 4-Chlorotoluene106-43-438 % similar

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

Elsewhere

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