Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
6-Methyl-2-mercaptobenzothiazole |
EINECS | N/A |
CAS No. | 2268-79-3 | Density | 1.39 g/cm3 |
PSA | 79.93000 | LogP | 2.89340 |
Solubility | N/A | Melting Point |
183 °C |
Formula | C8H7NS2 | Boiling Point | 322.6 °C at 760 mmHg |
Molecular Weight | 181.282 | Flash Point | 148.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Benzothiazolethiol,6-methyl- (7CI,8CI);2-Mercapto-6-methylbenzothiazole;6-Methyl-2-benzothiazolethiol; |
Article Data | 21 |
The 6-Methyl-2-mercaptobenzothiazole is an organic compound with the formula C8H7NS2. The systematic name of this chemical is 6-methyl-1,3-benzothiazole-2(3H)-thione. With the CAS registry number 2268-79-3, it is also named as 2-Benzothiazolethiol, 6-methyl-. The product's categories are Benzothiazole; Heterocycles; Heterocyclic Compound.
Physical properties about 6-Methyl-2-mercaptobenzothiazole are: (1)ACD/LogP: 2.84; (2)ACD/LogD (pH 5.5): 2.84; (3)ACD/LogD (pH 7.4): 2.84; (4)ACD/BCF (pH 5.5): 84.35; (5)ACD/BCF (pH 7.4): 84.1; (6)ACD/KOC (pH 5.5): 832.31; (7)ACD/KOC (pH 7.4): 829.83; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)Polar Surface Area: 60.63 Å2; (11)Index of Refraction: 1.743; (12)Molar Refractivity: 52.73 cm3; (13)Molar Volume: 130.3 cm3; (14)Polarizability: 20.9×10-24cm3; (15)Surface Tension: 70.7 dyne/cm; (16)Density: 1.39 g/cm3; (17)Flash Point: 148.9 °C; (18)Enthalpy of Vaporization: 56.45 kJ/mol; (19)Boiling Point: 322.6 °C at 760 mmHg; (20)Vapour Pressure: 0.000277 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: S=C2Sc1cc(ccc1N2)C
(2)InChI: InChI=1/C8H7NS2/c1-5-2-3-6-7(4-5)11-8(10)9-6/h2-4H,1H3,(H,9,10)
(3)InChIKey: KECHYAFVYLLNCH-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C8H7NS2/c1-5-2-3-6-7(4-5)11-8(10)9-6/h2-4H,1H3,(H,9,10)
(5)Std. InChIKey: KECHYAFVYLLNCH-UHFFFAOYSA-N