1H-Indole,2,3-dihydro-5-(methylthio)- supplier

Name
5-(methylthio)indoline
EINECS
CAS No. 147080-28-2
Article Data3
CAS DataBase
Density 1.168 g/cm³
Solubility
Melting Point
Formula C₉H₁₁NS
Boiling Point 299.284 °C at 760 mmHg
Molecular Weight 165.259
Flash Point 134.803 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-(Methylthio)indoline;
PSA 37.33000
LogP 2.51450

1H-Indole,2,3-dihydro-5-(methylthio)- Specification

The 1H-Indole,2,3-dihydro-5-(methylthio)-, with the CAS registry number 147080-28-2, is also known as 5-(Methylsulfanyl)indoline. This chemical's molecular formula is C₉H₁₁NS and molecular weight is 165.259. Its systematic name is called 5-(methylsulfanyl)-2,3-dihydro-1H-indole.

Physical properties of 1H-Indole,2,3-dihydro-5-(methylthio)-: (1)ACD/LogP: 2.53; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 15; (5)ACD/BCF (pH 7.4): 20; (6)ACD/KOC (pH 5.5): 230; (7)ACD/KOC (pH 7.4): 295; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.629; (12)Molar Refractivity: 50.251 cm³; (13)Molar Volume: 141.504 cm³; (14)Surface Tension: 47.452 dyne/cm; (15)Density: 1.168 g/cm³; (16)Flash Point: 134.803 °C; (17)Enthalpy of Vaporization: 53.927 kJ/mol; (18)Boiling Point: 299.284 °C at 760 mmHg; (19)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S(c1cc2c(cc1)NCC2)C
(2)InChI: InChI=1/C9H11NS/c1-11-8-2-3-9-7(6-8)4-5-10-9/h2-3,6,10H,4-5H2,1H3
(3)InChIKey: HIZQSLNOCDPQQP-UHFFFAOYAI

Product Name

5-(methylthio)indoline

1H-Indole,2,3-dihydro-5-(methylthio)- Specification

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