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

Name
1-(Cloromethyl)-4,5-dihydro-1H-imidazole hydrochloride
EINECS
CAS No. 387350-92-7
Article Data3
CAS DataBase
Density 1.261 g/cm³
Solubility
Melting Point 129-131 °C
Formula C₉H₁₁NO₂S
Boiling Point 418.8 °C at 760 mmHg
Molecular Weight 197.258
Flash Point 207.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-(Methylsulfonyl)indoline;5-Methylsulfonyl-2,3-dihydroindole;
PSA 54.55000
LogP 2.27690

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

The 1H-Indole,2,3-dihydro-5-(methylsulfonyl)-, with the CAS registry number 387350-92-7, is also known as 2,3-dihydro-5-methylsulfonyl-(1H)-indole. This chemical's molecular formula is C₉H₁₁NO₂S and molecular weight is 197.25414. Its IUPAC name is called 5-methylsulfonyl-2,3-dihydro-1H-indole.

Physical properties of 1H-Indole,2,3-dihydro-5-(methylsulfonyl)-: (1)ACD/LogP: 0.61; (2)ACD/LogD (pH 5.5): 0.61; (3)ACD/LogD (pH 7.4): 0.61; (4)ACD/BCF (pH 5.5): 1.71; (5)ACD/BCF (pH 7.4): 1.71; (6)ACD/KOC (pH 5.5): 51.08; (7)ACD/KOC (pH 7.4): 51.09; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.566; (12)Molar Refractivity: 51.05 cm³; (13)Molar Volume: 156.3 cm³; (14)Surface Tension: 42.2 dyne/cm; (15)Density: 1.261 g/cm³; (16)Flash Point: 207.1 °C; (17)Enthalpy of Vaporization: 67.24 kJ/mol; (18)Boiling Point: 418.8 °C at 760 mmHg; (19)Vapour Pressure: 3.2E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CS(=O)(=O)C1=CC2=C(C=C1)NCC2
(2)InChI: InChI=1S/C9H11NO2S/c1-13(11,12)8-2-3-9-7(6-8)4-5-10-9/h2-3,6,10H,4-5H2,1H3
(3)InChIKey: OFYOHQMIBTVTKY-UHFFFAOYSA-N

Product Name

1-(Cloromethyl)-4,5-dihydro-1H-imidazole hydrochloride

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

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