Products Categories
CAS No.: | 25389-28-0 |
---|---|
Name: | 3-(1,3-BENZOTHIAZOL-2-YL)PHENOL |
Article Data: | 28 |
Molecular Structure: | |
Formula: | C13H9NOS |
Molecular Weight: | 227.287 |
Synonyms: | 3-Benzothiazol-2-yl-phenol;2-(3-Hydroxyphenyl)benzothiazole; |
Density: | 1.337 g/cm3 |
Melting Point: | 165 °C |
Boiling Point: | 431.2 °C at 760 mmHg |
Flash Point: | 214.6 °C |
PSA: | 61.36000 |
LogP: | 3.66890 |
What can I do for you?
Get Best Price
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