1H-Indene,2,3-dihydro-2-isothiocyanato- supplier

Name
2,3-DIHYDRO-1H-INDEN-2-YL ISOTHIOCYANATE
EINECS
CAS No. 306935-87-5
Density 1.16 g/cm³
Solubility
Melting Point
Formula C₁₀H₉NS
Boiling Point 306.3 °C at 760 mmHg
Molecular Weight 175.25016
Flash Point 144.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Indan-2-ylisothiocyanate;
PSA 44.45000
LogP 2.25660

1H-Indene,2,3-dihydro-2-isothiocyanato- Specification

The 1H-Indene,2,3-dihydro-2-isothiocyanato-, with the CAS registry number 306935-87-5, is also known as 5-Isothiocyanatoindane. It belongs to the product category of Isothiocyanate. This chemical's molecular formula is C₁₀H₉NS and molecular weight is 175.2502. Its systematic name is called 5-isothiocyanato-2,3-dihydro-1H-indene.

Physical properties of 1H-Indene,2,3-dihydro-2-isothiocyanato-: (1)ACD/LogP: 4.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.36; (4)ACD/LogD (pH 7.4): 4.36; (5)ACD/BCF (pH 5.5): 1213.91; (6)ACD/BCF (pH 7.4): 1213.91; (7)ACD/KOC (pH 5.5): 5613.83; (8)ACD/KOC (pH 7.4): 5613.83; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.638; (12)Molar Refractivity: 53.91 cm³; (13)Molar Volume: 149.8 cm³; (14)Surface Tension: 41.1 dyne/cm; (15)Density: 1.16 g/cm³; (16)Flash Point: 144.1 °C; (17)Enthalpy of Vaporization: 52.5 kJ/mol; (18)Boiling Point: 306.3 °C at 760 mmHg; (19)Vapour Pressure: 0.00141 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C=N\c1ccc2c(c1)CCC2
(2)InChI: InChI=1/C10H9NS/c12-7-11-10-5-4-8-2-1-3-9(8)6-10/h4-6H,1-3H2
(3)InChIKey: DRZNKOAIZHUADV-UHFFFAOYAT

Product Name

2,3-DIHYDRO-1H-INDEN-2-YL ISOTHIOCYANATE

1H-Indene,2,3-dihydro-2-isothiocyanato- Specification

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