ChemicalBook--->CAS DataBase List--->188447-91-8

188447-91-8

188447-91-8 Structure

188447-91-8 Structure
IdentificationMore
[Name]

(S)-4-Methylbezenesulfinamide
[CAS]

188447-91-8
[Synonyms]

(S)-4-METHYL-BENZENESULFINAMIDE
(S)-4-Methylbezenesulfinamide
(S)-4-TOLUENESULFINAMIDE
(S)-4-TOLUENESULPHINAMIDE
(S)-(+)-P-TOLUENESULFINAMIDE
(S)-(+)-P-TOLUENESULFINAMIDE, 98+%
[Molecular Formula]

C7H9NOS
[MDL Number]

MFCD06858375
[Molecular Weight]

155.22
[MOL File]

188447-91-8.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystal powde
[Melting point ]

118-121 °C(lit.)
[Boiling point ]

0°C
[density ]

1.28±0.1 g/cm3(Predicted)
[Fp ]

0°C
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[pka]

9.52±0.40(Predicted)
[color ]

White to Light yellow to Light orange
[Optical Rotation]

[α]22/D +85°, c = 1 in chloroform
[InChI]

InChI=1/C7H9NOS/c1-6-2-4-7(5-3-6)10(8)9/h2-5H,8H2,1H3/t10-/s3
[InChIKey]

YNJDSRPIGAUCEE-JQHDBZEONA-N
[SMILES]

C1([S@@](N)=O)=CC=C(C)C=C1 |&1:1,r|
[CAS DataBase Reference]

188447-91-8(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[HS Code ]

2930909899
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystal powde
[Uses]

(S)-(+)-p-Toluenesulfinamide is used as a reagent to synthesize (-)-Pinidinol, a piperidine alkaloid usually extracted from pine and spruce trees(S)-(+)-p-Toluenesulfinamide is also used as a reagent in the synthesis of Nelfinavir, a selective inhibitor of human immunodeficiency virus (HIV) protease that is used to treat patients with HIV.
Spectrum DetailBack Directory
[Spectrum Detail]

(S)-4-Methylbezenesulfinamide(188447-91-8)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

188447-91-8(sigmaaldrich)
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