Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Amino-5-cyanobenzothiazole |
EINECS | N/A |
CAS No. | 105314-08-7 | Density | 1.45 g/cm3 |
PSA | 90.94000 | LogP | 2.33138 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H5N3S | Boiling Point | 399.7 °C at 760 mmHg |
Molecular Weight | 175.214 | Flash Point | 195.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Amino-5-cyanobenzothiazole;2-amino-1,3-benzothiazole-5-carbonitrile; |
Article Data | 1 |
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