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Benzenesulfinamide,4-methyl-, [S(S)]- (188447-91-8)

Identification
Name:Benzenesulfinamide,4-methyl-, [S(S)]-
Synonyms:Benzenesulfinamide,4-methyl-, (S)-;(+)-[S(S)]-4-methylbenzenesulfinamide;(S)-(+)-4-Methylbenzenesulfinamide;(S)-(+)-Toluenesulfinimide;(S)-4-Methylbenzenesulfinamide;(S)-p-Toluenesulfinamide;
CAS:188447-91-8
Molecular Formula: C7H9NOS
Molecular Weight: 155.21
InChI: InChI=1/C7H9NOS/c1-6-2-4-7(5-3-6)10(8)9/h2-5H,8H2,1H3/t10-/m0/s1
Molecular Structure: (C7H9NOS) Benzenesulfinamide,4-methyl-, (S)-;(+)-[S(S)]-4-methylbenzenesulfinamide;(S)-(+)-4-Methylbenzenesulf...
Properties
Melting Point: 118-121 °C(lit.)
Boiling Point: 0°C
Density:1.28g/cm3
Refractive index:1.65
Appearance:white to light yellow crystal powder
Specification:

The CAS register number of (S)-4-Methylbezenesulfinamide is 188447-91-8. It also can be called as (S)-(+)-p-Toluenesulfinamide and the systematic name about this chemical is 4-methylbenzenesulfinamide. It belongs to the following product categories, such as Chiral Compound, Chiral Building Blocks, Organic Building Blocks, Sulfonamides/Sulfinamides and so on.

Physical properties about (S)-4-Methylbezenesulfinamide are: (1)ACD/LogP: 0.62; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 38; (5)ACD/KOC (pH 7.4): 37; (6)#H bond acceptors: 2; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 62.3Å2; (10)Index of Refraction: 1.65; (11)Molar Refractivity: 43.869 cm3; (12)Molar Volume: 120.336 cm3; (13)Polarizability: 17.391x10-24cm3; (14)Surface Tension: 67.259 dyne/cm; (15)Enthalpy of Vaporization: 56.42 kJ/mol; (16)Boiling Point: 322.362 °C at 760 mmHg.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(c1ccc(cc1)C)N
(2)InChI: InChI=1/C7H9NOS/c1-6-2-4-7(5-3-6)10(8)9/h2-5H,8H2,1H3/t10-/m0/s1
(3)InChIKey: YNJDSRPIGAUCEE-JTQLQIEIBE
(4)Std. InChI: InChI=1S/C7H9NOS/c1-6-2-4-7(5-3-6)10(8)9/h2-5H,8H2,1H3/t10-/m0/s1
(5)Std. InChIKey: YNJDSRPIGAUCEE-JTQLQIEISA-N

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