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103654-21-3

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Basic Information
CAS No.: 103654-21-3
Name: N-Methyl-3-(phenylthio)-1H-indole-5-methanesulfonamide
Molecular Structure:
Molecular Structure of 103654-21-3 (N-Methyl-3-(phenylthio)-1H-indole-5-methanesulfonamide)
Formula: C16H16N2O2S2
Molecular Weight: 332.44
Synonyms: N-Methyl-3-(phenylthio)-1H-indole-5-methanesulfonamide;N-Methyl(3-(phenylthio)-1H-indol-5-yl)methanesulfonamide
Density: 1.4 g/cm3
Boiling Point: 578.1 °C at 760 mmHg
Flash Point: 303.4 °C
PSA: 95.64000
LogP: 4.84000
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    N-Methyl-3-(phenylthio)-1H-indole-5-methanesulfonamide

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    factory?direct?sale Application:Fine chemical intermediates, used as the main raw material for the synthesis of various pesticides, medicines, surfactants, polymer monomers, and antifungal agents

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    factory?direct?saleAppearance:White powder Storage:Sealed and preserved Package:200/Kilograms Application:healing drugs Transportation:By sea Port:Shanghai/tianjin

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Specification

This chemical is called N-Methyl-3-(phenylthio)-1H-indole-5-methanesulfonamide. With the molecular formula of C16H16N2O2S2, its molecular weight is 332.44. The CAS registry number of this chemical is 103654-21-3.

Other characteristics of the N-Methyl-3-(phenylthio)-1H-indole-5-methanesulfonamide can be summarised as followings: (1)ACD/LogP: 2.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.98; (4)ACD/LogD (pH 7.4): 2.98; (5)ACD/BCF (pH 5.5): 108.45; (6)ACD/BCF (pH 7.4): 108.44; (7)ACD/KOC (pH 5.5): 996.4; (8)ACD/KOC (pH 7.4): 996.26; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 95.64 Å2; (13)Index of Refraction: 1.71; (14)Molar Refractivity: 92.68 cm3; (15)Molar Volume: 237.1 cm3; (16)Polarizability: 36.74×10-24cm3; (17)Surface Tension: 68.5 dyne/cm; (18)Density: 1.4 g/cm3; (19)Flash Point: 303.4 °C; (20)Enthalpy of Vaporization: 86.52 kJ/mol; (21)Boiling Point: 578.1 °C at 760 mmHg; (22)Vapour Pressure: 2.32E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: CNS(=O)(=O)Cc1cc3c(cc1)ncc3Sc2ccccc2
2.InChI: InChI=1/C16H16N2O2S2/c1-17-22(19,20)11-12-7-8-15-14(9-12)16(10-18-15)21-13-5-3-2-4-6-13/h2-10,17-18H,11H2,1H3
3.InChIKey: FXDXFQYSFOSJBS-UHFFFAOYAZ
4.Std. InChI: InChI=1S/C16H16N2O2S2/c1-17-22(19,20)11-12-7-8-15-14(9-12)16(10-18-15)21-13-5-3-2-4-6-13/h2-10,17-18H,11H2,1H3
5.Std. InChIKey: FXDXFQYSFOSJBS-UHFFFAOYSA-N