Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-Methyl-2-mercaptobenzothiazole |
EINECS | N/A |
CAS No. | 21303-50-4 | Density | 1.39 g/cm3 |
PSA | 79.93000 | LogP | 2.89340 |
Solubility | N/A | Melting Point |
121 °C |
Formula | C8H7NS2 | Boiling Point | 314.5 °C at 760 mmHg |
Molecular Weight | 181.282 | Flash Point | 144 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Benzothiazolethiol,5-methyl- (7CI);2-Benzothiazolinethione, 5-methyl- (8CI);2-Mercapto-5-methylbenzothiazole;5-Methyl-2-benzothiazolethiol;5-Methyl-2-mercaptobenzothiazole; |
Article Data | 13 |
The 5-Methyl-2-mercaptobenzothiazole with its cas register number is 21303-50-4. It also can be called as 5-Methyl-2(3H)-benzothiazolethione and the Systematic name about this chemical is 5-methyl-1,3-benzothiazole-2(3H)-thione. It belongs to the following product categories, such as Benzothiazole, Heterocycles, Heterocyclic Compound and so on.
Physical properties about 5-Methyl-2-mercaptobenzothiazole are: (1)ACD/LogP: 2.84; (2)ACD/LogD (pH 5.5): 2.84; (3)ACD/LogD (pH 7.4): 2.83; (4)ACD/BCF (pH 5.5): 84.34; (5)ACD/BCF (pH 7.4): 83.82; (6)ACD/KOC (pH 5.5): 832.27; (7)ACD/KOC (pH 7.4): 827.15; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)Polar Surface Area: 60.63Å2; (11)Index of Refraction: 1.743; (12)Molar Refractivity: 52.73 cm3; (13)Molar Volume: 130.3 cm3; (14)Polarizability: 20.9x10-24cm3; (15)Surface Tension: 70.7 dyne/cm; (16)Enthalpy of Vaporization: 55.57 kJ/mol; (17)Vapour Pressure: 0.000464 mmHg at 25°C
You can still convert the following datas into molecular structure:
(1)SMILES: S=C2Sc1ccc(cc1N2)C
(2)InChI: InChI=1/C8H7NS2/c1-5-2-3-7-6(4-5)9-8(10)11-7/h2-4H,1H3,(H,9,10)
(3)InChIKey: ILDUPWKUQLPLKK-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C8H7NS2/c1-5-2-3-7-6(4-5)9-8(10)11-7/h2-4H,1H3,(H,9,10)
(5)Std. InChIKey: ILDUPWKUQLPLKK-UHFFFAOYSA-N