Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
N-Methyl-1H-indole-5-ethanesulfonamide |
EINECS | 1592732-453-0 |
CAS No. | 98623-50-8 | Density | 1.316g/cm3 |
PSA | 70.34000 | LogP | 2.73130 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H14N2O2S | Boiling Point | 458.4 °C at 760 mmHg |
Molecular Weight | 238.31 | Flash Point | 231 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
N-METHYL-1H-INDOLE-5-ETHANE SULFONAMIDE;N-methyl-1H-indole-5-ethane sulphonamide; |
Article Data | 7 |
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