2-Benzothiazolecarbonitrile,6-hydroxy-4-methyl- supplier

Name
2-Benzothiazolecarbonitrile,6-hydroxy-4-methyl-(9CI)
EINECS
CAS No. 130593-25-8
Density 1.459 g/cm³
Solubility
Melting Point
Formula C₉H₆N₂OS
Boiling Point 385.239 °C at 760 mmHg
Molecular Weight 190.23
Flash Point 186.786 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Hydroxy-4-methyl-1,3-benzothiazole-2-carbonitrile;2-Benzothiazolecarbonitrile,6-hydroxy-4-methyl-(9CI);
PSA 85.15000
LogP 2.18198

2-Benzothiazolecarbonitrile,6-hydroxy-4-methyl- Specification

The 2-Benzothiazolecarbonitrile,6-hydroxy-4-methyl-, with the CAS registry number 130593-25-8, is also known as 2-Benzothiazolecarbonitrile,6-hydroxy-4-methyl-(9CI). It belongs to the product category of Benzothiazole. This chemical's molecular formula is C₉H₆N₂OS and molecular weight is 190.23. What's more, its IUPAC name is N-(4-fluorophenyl)-1,3-benzothiazol-2-amine.

Physical properties of 2-Benzothiazolecarbonitrile,6-hydroxy-4-methyl- are: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.108; (4)ACD/LogD (pH 7.4): 1.897; (5)ACD/BCF (pH 5.5): 23.518; (6)ACD/BCF (pH 7.4): 14.462; (7)ACD/KOC (pH 5.5): 332.875; (8)ACD/KOC (pH 7.4): 204.698; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 85.15 Å²; (13)Index of Refraction: 1.71; (14)Molar Refractivity: 50.969 cm³; (15)Molar Volume: 130.405 cm³; (16)Polarizability: 20.206×10^-24cm³; (17)Surface Tension: 81.515 dyne/cm; (18)Density: 1.459 g/cm³; (19)Flash Point: 186.786 °C; (20)Enthalpy of Vaporization: 65.882 kJ/mol; (21)Boiling Point: 385.239 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(cc2c1nc(s2)C#N)O
(2)InChI: InChI=1S/C9H6N2OS/c1-5-2-6(12)3-7-9(5)11-8(4-10)13-7/h2-3,12H,1H3
(3)InChIKey: LBHNLZNMCBRODN-UHFFFAOYSA-N

Product Name

2-Benzothiazolecarbonitrile,6-hydroxy-4-methyl-(9CI)

2-Benzothiazolecarbonitrile,6-hydroxy-4-methyl- Specification

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