CAS No.850429-63-9,6-METHYLSULFONYLOXINDOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	850429-63-9
Name:	6-METHYLSULFONYLOXINDOLE

Formula:	C₉H₉NO₃S
Molecular Weight:	211.24
Synonyms:	6-(Methylsulphonyl)oxindole;6-(Methylsulfonyl)indolin-2-one;
Density:	1.382 g/cm³
Melting Point:	218-220 °C
Boiling Point:	481.8 °C at 760 mmHg
Flash Point:	245.2 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	71.62000
LogP:	1.80350

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Specification

The IUPAC name of 2H-Indol-2-one,1,3-dihydro-6-(methylsulfonyl)- is 6-methylsulfonyl-1,3-dihydroindol-2-one. With the CAS registry number 850429-63-9, it is also named as 6-(Methylsulphonyl)oxindole. The product's categories are Blocks; Indoles Oxindoles; Indoline & Oxindole. In addition, its molecular formula is C₉H₉NO₃S and its molecular weight is 211.24.

The other characteristics of 2H-Indol-2-one,1,3-dihydro-6-(methylsulfonyl)- can be summarized as: (1)ACD/LogP: -0.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.81; (4)ACD/LogD (pH 7.4): -0.81; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.66; (8)ACD/KOC (pH 7.4): 8.66; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 62.83 Å²; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 51.17 cm³; (15)Molar Volume: 152.8 cm³; (16)Polarizability: 20.28×10^-24cm³; (17)Surface Tension: 48.7 dyne/cm; (18)Density: 1.382 g/cm³; (19)Flash Point: 245.2 °C; (20)Melting Point: 218-220 °C; (21)Enthalpy of Vaporization: 74.66 kJ/mol; (22)Boiling Point: 481.8 °C at 760 mmHg; (23)Vapour Pressure: 1.93E-09 mmHg at 25 °C.

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

People can use the following data to convert to the molecule structure.
(1)SMILES: O=S(=O)(c1ccc2c(c1)NC(=O)C2)C
(2)InChI: InChI=1/C9H9NO3S/c1-14(12,13)7-3-2-6-4-9(11)10-8(6)5-7/h2-3,5H,4H2,1H3,(H,10,11)
(3)InChIKey: DEQZMOXYEJGJJN-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C9H9NO3S/c1-14(12,13)7-3-2-6-4-9(11)10-8(6)5-7/h2-3,5H,4H2,1H3,(H,10,11)
(5)Std. InChIKey: DEQZMOXYEJGJJN-UHFFFAOYSA-N