(R)-(-)-p-Toluenesulfinamide

C₇H₉NOSCAS 247089-85-6155.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₉NOS
Molar mass: 155.22 g/mol
Exact mass: 155.0405 Da
logP: 0.98Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1
Stereocentres: Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

247089-85-6

SMILES

CC1=CC=C(C=C1)[S@@](=O)N

InChIKey

YNJDSRPIGAUCEE-SNVBAGLBSA-N

InChI

InChI=1S/C7H9NOS/c1-6-2-4-7(5-3-6)10(8)9/h2-5H,8H2,1H3/t10-/m1/s1

Weigh it out

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

Names and synonyms

1 names

(R)-(-)-4-Methylbezenesulfinamide

Work with (R)-(-)-p-Toluenesulfinamide

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.

(S)-4-Methylbezenesulfinamide188447-91-8Enantiomer

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

PubChem CAS Common Chemistry NIST WebBook