CAS No.98623-50-8,N-Methyl-1H-Indole-5-EthaneSulphonamide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	98623-50-8
Name:	N-Methyl-1H-Indole-5-EthaneSulphonamide
Article Data:	7

Formula:	C₁₁H₁₄N₂O₂S
Molecular Weight:	238.31
Synonyms:	N-METHYL-1H-INDOLE-5-ETHANE SULFONAMIDE;N-methyl-1H-indole-5-ethane sulphonamide;
EINECS:	1592732-453-0
Density:	1.316g/cm³
Boiling Point:	458.4 °C at 760 mmHg
Flash Point:	231 °C
PSA:	70.34000
LogP:	2.73130

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Specification

The N-Methyl-1H-indole-5-ethanesulfonamide, with CAS registry number 98623-50-8, has the systematic name of 2-(1H-indol-5-yl)-N-methylethanesulfonamide. And the chemical formula of this chemical is C₁₁H₁₄N₂O₂S.

Physical properties about this chemical are: (1)ACD/LogP: 1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.16; (4)ACD/LogD (pH 7.4): 1.16; (5)ACD/BCF (pH 5.5): 4.52; (6)ACD/BCF (pH 7.4): 4.52; (7)ACD/KOC (pH 5.5): 102.47; (8)ACD/KOC (pH 7.4): 102.46; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 70.34 Å²; (13)Index of Refraction: 1.632; (14)Molar Refractivity: 64.59 cm³; (15)Molar Volume: 181 cm³; (16)Polarizability: 25.6×10^-24cm³; (17)Surface Tension: 57.3 dyne/cm; (18)Enthalpy of Vaporization: 71.87 kJ/mol; (19)Vapour Pressure: 1.37E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CNS(=O)(=O)CCc1cc2ccnc2cc1
(2)InChI: InChI=1/C11H14N2O2S/c1-12-16(14,15)7-5-9-2-3-11-10(8-9)4-6-13-11/h2-4,6,8,12-13H,5,7H2,1H3
(3)InChIKey: PPXMUBLAPJLGNE-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C11H14N2O2S/c1-12-16(14,15)7-5-9-2-3-11-10(8-9)4-6-13-11/h2-4,6,8,12-13H,5,7H2,1H3
(5)Std. InChIKey: PPXMUBLAPJLGNE-UHFFFAOYSA-N