Benzothiazole,4-methoxy- supplier

Name
Benzothiazole, 4-methoxy- (7CI,8CI,9CI)
EINECS
CAS No. 3048-46-2
Article Data14
CAS DataBase
Density 1.268 g/cm³
Solubility
Melting Point 103 °C
Formula C₈H₇NOS
Boiling Point 274.42 °C at 760 mmHg
Molecular Weight 165.216
Flash Point 119.765 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Methoxybenzothiazole;
PSA 50.36000
LogP 2.30490

Benzothiazole,4-methoxy- Specification

The Benzothiazole,4-methoxy-, with the CAS registry number 3048-46-2, is also known as 4-Methoxybenzothiazole. This chemical's molecular formula is C₈H₇NOS and molecular weight is 165.21228. What's more, its IUPAC name and systematic name are the same which is called 4-Methoxy-1,3-benzothiazole.

Physical properties about Benzothiazole,4-methoxy-: (1)ACD/LogP: 1.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 16; (6)ACD/BCF (pH 7.4): 16; (7)ACD/KOC (pH 5.5): 255; (8)ACD/KOC (pH 7.4): 255; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 50.36 Å²; (13)Index of Refraction: 1.646; (14)Molar Refractivity: 47.249 cm³; (15)Molar Volume: 130.255 cm³; (16)Surface Tension: 49.263 dyne/cm; (17)Density: 1.268 g/cm³; (18)Flash Point: 119.765 °C; (19)Enthalpy of Vaporization: 49.218 kJ/mol; (20)Boiling Point: 274.42 °C at 760 mmHg; (21)Vapour Pressure: 0.009 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: COc1cccc2c1ncs2
(2) InChI: InChI=1/C8H7NOS/c1-10-6-3-2-4-7-8(6)9-5-11-7/h2-5H,1H3
(3) InChIKey: XQPAPBLJJLIQGV-UHFFFAOYAQ

Product Name

Benzothiazole, 4-methoxy- (7CI,8CI,9CI)

Benzothiazole,4-methoxy- Specification

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