Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1H-Indole,2,3-dihydro-5-(methylthio)- |
EINECS | N/A |
CAS No. | 147080-28-2 | Density | 1.168 g/cm3 |
PSA | 37.33000 | LogP | 2.51450 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H11NS | Boiling Point | 299.284 °C at 760 mmHg |
Molecular Weight | 165.259 | Flash Point | 134.803 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-(Methylthio)indoline; |
Article Data | 3 |
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