CAS No.80360-14-1,3-IODO-1-(PHENYLSULFONYL)-1H-INDOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	80360-14-1
Name:	3-IODO-1-(PHENYLSULFONYL)-1H-INDOLE
Article Data:	15

Formula:	C₁₄H₁₀INO₂S
Molecular Weight:	383.209
Synonyms:	1-(Phenylsulfonyl)-3-iodoindole;3-Iodo-1-phenylsulfonyl-1H-indole;3-Iodo-1-phenylsulfonylindole;3-Iodo-N-phenylsulfonylindole;N-Phenylsulfonyl-3-iodoindole;
Density:	1.733 g/cm³
Melting Point:	125-129℃
Boiling Point:	516.555 °C at 760 mmHg
Flash Point:	266.203 °C
Solubility:	Insoluble in water.
Hazard Symbols:	Xi
PSA:	47.45000
LogP:	4.56370

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Specification

The 1H-Indole,3-iodo-1-(phenylsulfonyl)-, with the CAS registry number 80360-14-1, is also known as 3-Iodo-1-(phenylsulfonyl)indole. This chemical's molecular formula is C₁₄H₁₀INO₂S and molecular weight is 383.20417. Its systematic name is called 3-iodo-1-(phenylsulfonyl)-1H-indole. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties of 1H-Indole,3-iodo-1-(phenylsulfonyl)-: (1)ACD/LogP: 4.60; (2)ACD/LogD (pH 5.5): 5; (3)ACD/LogD (pH 7.4): 5; (4)ACD/BCF (pH 5.5): 2374; (5)ACD/BCF (pH 7.4): 2374; (6)ACD/KOC (pH 5.5): 9072; (7)ACD/KOC (pH 7.4): 9072; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.703; (11)Molar Refractivity: 85.78 cm³; (12)Molar Volume: 221.179 cm³; (13)Surface Tension: 57.283 dyne/cm; (14)Density: 1.733 g/cm³; (15)Flash Point: 266.203 °C; (16)Enthalpy of Vaporization: 78.867 kJ/mol; (17)Boiling Point: 516.555 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccccc1)n3c2ccccc2c(I)c3
(2)InChI: InChI=1/C14H10INO2S/c15-13-10-16(14-9-5-4-8-12(13)14)19(17,18)11-6-2-1-3-7-11/h1-10H
(3)InChIKey: GKYWOZYEMLEJFK-UHFFFAOYAP