2-Mercapto-6-methoxybenzothiazole supplier

Name
2(3H)-Benzothiazolethione,6-methoxy-(9CI)
EINECS
CAS No. 2182-73-2
Article Data15
CAS DataBase
Density 1.44g/cm³
Solubility
Melting Point 205 °C
Formula C₈H₇NOS₂
Boiling Point 348.9 °C at 760 mmHg
Molecular Weight 197.282
Flash Point 164.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2(3H)-Benzothiazolethione,6-methoxy-(9CI);
PSA 89.16000
LogP 2.59360

2-Mercapto-6-methoxybenzothiazole Specification

The 2-Mercapto-6-methoxybenzothiazole, with CAS registry number 2182-73-2, belongs to the following product category: Benzothiazole. It has the systematic name of 6-methoxy-1,3-benzothiazole-2(3H)-thione. Besides this, it is also called 2(3H)-Benzothiazolethione,6-methoxy-(9CI). And the chemical formula of this chemical is C₈H₇NOS₂.

Physical properties of 2-Mercapto-6-methoxybenzothiazole: (1)ACD/LogP: 2.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.29; (4)ACD/LogD (pH 7.4): 2.29; (5)ACD/BCF (pH 5.5): 32.51; (6)ACD/BCF (pH 7.4): 32.3; (7)ACD/KOC (pH 5.5): 420.67; (8)ACD/KOC (pH 7.4): 417.92; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 69.86 Å²; (13)Index of Refraction: 1.728; (14)Molar Refractivity: 54.47 cm³; (15)Molar Volume: 136.6 cm³; (16)Polarizability: 21.59×10^-24cm³; (17)Surface Tension: 72.1 dyne/cm; (18)Density: 1.44 g/cm³; (19)Flash Point: 164.8 °C; (20)Enthalpy of Vaporization: 59.34 kJ/mol; (21)Boiling Point: 348.9 °C at 760 mmHg; (22)Vapour Pressure: 4.86E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C2Sc1cc(OC)ccc1N2
(2)InChI: InChI=1/C8H7NOS2/c1-10-5-2-3-6-7(4-5)12-8(11)9-6/h2-4H,1H3,(H,9,11)
(3)InChIKey: WBKYNVBTKLKJBG-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C8H7NOS2/c1-10-5-2-3-6-7(4-5)12-8(11)9-6/h2-4H,1H3,(H,9,11)
(5)Std. InChIKey: WBKYNVBTKLKJBG-UHFFFAOYSA-N

Product Name

2(3H)-Benzothiazolethione,6-methoxy-(9CI)

2-Mercapto-6-methoxybenzothiazole Specification

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