2-Amino-5-cyanobenzothiazole supplier

Name
5-Benzothiazolecarbonitrile,2-amino-(9CI)
EINECS
CAS No. 105314-08-7
Article Data1
CAS DataBase
Density 1.45 g/cm³
Solubility
Melting Point
Formula C₈H₅N₃S
Boiling Point 399.7 °C at 760 mmHg
Molecular Weight 175.214
Flash Point 195.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Amino-5-cyanobenzothiazole;2-amino-1,3-benzothiazole-5-carbonitrile;
PSA 90.94000
LogP 2.33138

2-Amino-5-cyanobenzothiazole Specification

The 2-Amino-5-cyanobenzothiazole with the CAS number 105314-08-7 is also called 5-Benzothiazolecarbonitrile,2-amino-. The systematic name is 2-amino-1,3-benzothiazole-5-carbonitrile. Its molecular formula is C₈H₅N₃S. The product category is Benzothiazole.

The properties of the 2-Amino-5-cyanobenzothiazole are: (1)ACD/LogP: 1.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.33; (4)ACD/LogD (pH 7.4): 1.33; (5)ACD/BCF (pH 5.5): 6.01; (6)ACD/BCF (pH 7.4): 6.02; (7)ACD/KOC (pH 5.5): 125.68; (8)ACD/KOC (pH 7.4): 125.81; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 68.16 Å²; (13)Index of Refraction: 1.735; (14)Molar Refractivity: 48.43 cm³; (15)Molar Volume: 120.6 cm³; (16)Polarizability: 19.2×10^-24cm³; (17)Surface Tension: 84.9 dyne/cm; (18)Enthalpy of Vaporization: 65.04 kJ/mol; (19)Vapour Pressure: 1.34×10^-6 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cc2nc(sc2cc1)N
(2)InChI: InChI=1/C8H5N3S/c9-4-5-1-2-7-6(3-5)11-8(10)12-7/h1-3H,(H2,10,11)
(3)InChIKey: ZYDVWUVIXJDLIV-UHFFFAOYAA

Product Name

5-Benzothiazolecarbonitrile,2-amino-(9CI)

2-Amino-5-cyanobenzothiazole Specification

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