chempirical

(S)-4-Methylbezenesulfinamide

C7H9NOSCAS 188447-91-8155.22 g/mol

Open in Covalent MOL file
SONH2

Properties

Molecular formula
C7H9NOS
Molar mass
155.22 g/mol
Exact mass
155.0405 Da
logP
0.98Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
188447-91-8
SMILES
CC1=CC=C(C=C1)[S@](=O)N
InChIKey
YNJDSRPIGAUCEE-JTQLQIEISA-N
InChI
InChI=1S/C7H9NOS/c1-6-2-4-7(5-3-6)10(8)9/h2-5H,8H2,1H3/t10-/m0/s1

Weigh it out

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Names and synonyms

1 names
  • (S)-4-Methylbenzenesulfinamide

Work with (S)-4-Methylbezenesulfinamide

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(R)-(-)-p-Toluenesulfinamide247089-85-6Enantiomer

Similar compounds

1,1′-Sulfinylbis[4-methylbenzene]1774-35-256 % similar 4-Methylbenzene-1-sulfinyl chloride10439-23-350 % 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-Methylaniline106-49-038 % similar Di-p-tolyl613-33-238 % similar

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

Same formula

5-Acetyl-2,4-dimethylthiazole38205-60-6

Elsewhere

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