Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzothiazole,2-(4-methoxyphenyl)- |
EINECS | N/A |
CAS No. | 6265-92-5 | Density | 1.234 g/cm3 |
PSA | 50.36000 | LogP | 3.97190 |
Solubility | N/A | Melting Point |
120.0 to 124.0 °C |
Formula | C14H11NOS | Boiling Point | 392.5 °C at 760 mmHg |
Molecular Weight | 241.313 | Flash Point | 191.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Benzothiazole,2-(p-methoxyphenyl)- (6CI,7CI,8CI);2-(4-Methoxyphenyl)benzo[d]thiazole;2-(4-Methoxyphenyl)benzothiazole;2-(p-Methoxyphenyl)benzothiazole;NSC 33161; |
Article Data | 316 |
The Benzothiazole,2-(4-methoxyphenyl)- is an organic compound with the molecular formula C14H11NOS. Its CAS registry number is 6265-92-5. The IUPAC name of this chemical is called 2-(4-Methoxyphenyl)-1,3-benzothiazole. What's more, the molecular weight of this chemical is 241.31. In addition, its classification code is Drug / Therapeutic Agent.
Physical properties about Benzothiazole,2-(4-methoxyphenyl)- are: (1)ACD/LogP: 4.43; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.43; (4)ACD/LogD (pH 7.4): 4.43; (5)ACD/BCF (pH 5.5): 1360.32; (6)ACD/BCF (pH 7.4): 1361.55; (7)ACD/KOC (pH 5.5): 6088.99; (8)ACD/KOC (pH 7.4): 6094.51; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 50.36Å2; (13)Index of Refraction: 1.656; (14)Molar Refractivity: 71.84 cm3; (15)Molar Volume: 195.5 cm3; (16)Polarizability: 28.48×10-24 cm3; (17)Surface Tension: 49.4 dyne/cm; (18)Density: 1.234 g/cm3; (19)Flash Point: 191.2 °C; (20)Enthalpy of Vaporization: 61.72 kJ/mol; (21)Boiling Point: 392.5 °C at 760 mmHg; (22)Vapour Pressure: 5.16E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: n1c3ccccc3sc1c2ccc(OC)cc2
(2) InChI: InChI=1/C14H11NOS/c1-16-11-8-6-10(7-9-11)14-15-12-4-2-3-5-13(12)17-14/h2-9H,1H3
(3) InChIKey: AOPZIJQISHFZBN-UHFFFAOYAR
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD | intraperitoneal | > 8gm/kg (8000mg/kg) | Antibiotics and Chemotherapy Vol. 8, Pg. 33, 1958. |