Benzothiazole,2-(iodomethyl)- supplier

Name
2-(IODOMETHYL)-BENZOTHIAZOLE
EINECS
CAS No. 229643-15-6
Article Data5
CAS DataBase
Density 1.945 g/cm³
Solubility
Melting Point
Formula C₈H₆INS
Boiling Point 311.9 °C at 760 mmHg
Molecular Weight 275.113
Flash Point 142.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(Iodomethyl)benzothiazole;
PSA 41.13000
LogP 3.23130

Benzothiazole,2-(iodomethyl)- Specification

The CAS register number of Benzothiazole,2-(iodomethyl)- is 229643-15-6. The systematic name about this chemical is 2-(iodomethyl)-1,3-benzothiazole. The molecular formula about this chemical is C₈H₆INS and the molecular weight is 275.11.

Physical properties about Benzothiazole,2-(iodomethyl)- are: (1)ACD/LogP: 3.45; (2)ACD/LogD (pH 5.5): 3.45; (3)ACD/LogD (pH 7.4): 3.45; (4)ACD/BCF (pH 5.5): 247.43; (5)ACD/BCF (pH 7.4): 247.49; (6)ACD/KOC (pH 5.5): 1798.1; (7)ACD/KOC (pH 7.4): 1798.53; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 41.13 Å²; (11)Index of Refraction: 1.764; (12)Molar Refractivity: 58.45 cm³; (13)Molar Volume: 141.3 cm³; (14)Polarizability: 23.17x10^-24cm³; (15)Surface Tension: 63.5 dyne/cm; (16)Density: 1.945 g/cm³; (17)Flash Point: 142.4 °C; (18)Enthalpy of Vaporization: 53.08 kJ/mol; (19)Boiling Point: 311.9 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: ICc1nc2ccccc2s1
(2)InChI: InChI=1/C8H6INS/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5H2
(3)InChIKey: JXBONNIKLRSNGF-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C8H6INS/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5H2
(5)Std. InChIKey: JXBONNIKLRSNGF-UHFFFAOYSA-N

Product Name

2-(IODOMETHYL)-BENZOTHIAZOLE

Benzothiazole,2-(iodomethyl)- Specification

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