CAS No.77248-65-8,5-METHYLSULFANYL-1H-INDOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	77248-65-8
Name:	5-METHYLSULFANYL-1H-INDOLE
Article Data:	4

Formula:	C₉H₉NS
Molecular Weight:	163.243
Synonyms:	5-(Methylthio)-1H-indole;5-(Methylthio)indole;
Density:	1.21 g/cm³
Boiling Point:	334.4 °C at 760 mmHg
Flash Point:	156 °C
PSA:	41.09000
LogP:	2.88980

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Specification

The 1H-Indole,5-(methylthio)- is an organic compound with the formula C₉H₉NS. The systematic name of this chemical is 5-(methylsulfanyl)-1H-indole. With the CAS registry number 77248-65-8, it is also named as 5-(Methylthio)indole.

Physical properties about 1H-Indole,5-(methylthio)- are: (1)ACD/LogP: 2.63; (2)ACD/LogD (pH 5.5): 2.63; (3)ACD/LogD (pH 7.4): 2.63; (4)ACD/BCF (pH 5.5): 58.57; (5)ACD/BCF (pH 7.4): 58.57; (6)ACD/KOC (pH 5.5): 641.05; (7)ACD/KOC (pH 7.4): 641.05; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 41.09 Å²; (12)Index of Refraction: 1.682; (13)Molar Refractivity: 50.87 cm³; (14)Molar Volume: 134.1 cm³; (15)Polarizability: 20.16×10^-24cm³; (16)Surface Tension: 53.1 dyne/cm; (17)Density: 1.21 g/cm³; (18)Flash Point: 156 °C; (19)Enthalpy of Vaporization: 55.45 kJ/mol; (20)Boiling Point: 334.4 °C at 760 mmHg; (21)Vapour Pressure: 0.000249 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CSc1cc2ccnc2cc1
(2)InChI: InChI=1/C9H9NS/c1-11-8-2-3-9-7(6-8)4-5-10-9/h2-6,10H,1H3
(3)InChIKey: SDCBCVSFFGUNSH-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C9H9NS/c1-11-8-2-3-9-7(6-8)4-5-10-9/h2-6,10H,1H3
(5)Std. InChIKey: SDCBCVSFFGUNSH-UHFFFAOYSA-N