Phenol,3-(2-benzothiazolyl)- supplier

Name
3-(1,3-BENZOTHIAZOL-2-YL)PHENOL
EINECS
CAS No. 25389-28-0
Article Data28
CAS DataBase
Density 1.337 g/cm³
Solubility
Melting Point 165 °C
Formula C₁₃H₉NOS
Boiling Point 431.2 °C at 760 mmHg
Molecular Weight 227.287
Flash Point 214.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Benzothiazol-2-yl-phenol;2-(3-Hydroxyphenyl)benzothiazole;
PSA 61.36000
LogP 3.66890

Phenol,3-(2-benzothiazolyl)- Specification

The Phenol,3-(2-benzothiazolyl)-, with the CAS registry number 25389-28-0, is also known as 3-Benzothiazol-2-yl-phenol. This chemical's molecular formula is C₁₃H₉NOS and molecular weight is 227.28. What's more, its IUPAC name is 3-(1,3-Benzothiazol-2-yl)phenol.

Physical properties of Phenol,3-(2-benzothiazolyl)- are: (1)ACD/LogP: 3.91; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 50.36 Å²; (7)Index of Refraction: 1.718; (8)Molar Refractivity: 67.04 cm³; (9)Molar Volume: 169.9 cm³; (10)Polarizability: 26.57×10^-24 cm³; (11)Surface Tension: 61.9 dyne/cm; (12)Density: 1.337 g/cm³; (13)Flash Point: 214.6 °C; (14)Enthalpy of Vaporization: 71.34 kJ/mol; (15)Boiling Point: 431.2 °C at 760 mmHg; (16)Vapour Pressure: 4.83E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC=C3)O
(2)InChI: InChI=1S/C13H9NOS/c15-10-5-3-4-9(8-10)13-14-11-6-1-2-7-12(11)16-13/h1-8,15H
(3)InChIKey: JIWVTDBBMGSTFI-UHFFFAOYSA-N

Product Name

3-(1,3-BENZOTHIAZOL-2-YL)PHENOL

Phenol,3-(2-benzothiazolyl)- Specification

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