5-Thiazoleacetic acid,4-hydroxy-2-phenyl- supplier

Name
2-(4-HYDROXY-2-PHENYL-1,3-THIAZOL-5-YL)ACETIC ACID
EINECS
CAS No. 133834-03-4
Density 1.441g/cm³
Solubility
Melting Point 196-200°C (dec.)
Formula C₁₁H₉NO₃S
Boiling Point 482.446 °C at 760 mmHg
Molecular Weight 235.25906
Flash Point 245.575 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 2-(4-HYDROXY-2-PHENYL-1,3-THIAZOL-5-YL)ACETIC ACID;(4-Hydroxy-2-phenyl-1,3-thiazol-5-yl)acetic acid;5-(Carboxymethyl)-2-phenyl-1,3-thiazol-4-ol, (5-Carboxymethyl)-4-hydroxy-2-phenyl-1,3-thiazole;2-(4-Hydroxy-2-phenylthiazol-5-yl)acetic acid
PSA 98.66000
LogP 2.14280

5-Thiazoleacetic acid,4-hydroxy-2-phenyl- Specification

The 5-Thiazoleacetic acid,4-hydroxy-2-phenyl-, with CAS registry number 133834-03-4, has the systematic name of (4-hydroxy-2-phenyl-1,3-thiazol-5-yl)acetic acid. Besides this, it is also called 2-(4-Hydroxy-2-phenyl-1,3-thiazol-5-yl)acetic acid. And the chemical formula of this chemical is C₁₁H₉NO₃S.

Physical properties of 5-Thiazoleacetic acid,4-hydroxy-2-phenyl-: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 98.66 Å²; (13)Index of Refraction: 1.66; (14)Molar Refractivity: 60.316 cm³; (15)Molar Volume: 163.294 cm³; (16)Polarizability: 23.911×10^-24cm³; (17)Surface Tension: 69.417 dyne/cm; (18)Density: 1.441 g/cm³; (19)Flash Point: 245.575 °C; (20)Enthalpy of Vaporization: 78.721 kJ/mol; (21)Boiling Point: 482.446 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)Cc1sc(nc1O)c2ccccc2
(2)InChI: InChI=1/C11H9NO3S/c13-9(14)6-8-10(15)12-11(16-8)7-4-2-1-3-5-7/h1-5,15H,6H2,(H,13,14)
(3)InChIKey: NOTOFOSPABEIMC-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C11H9NO3S/c13-9(14)6-8-10(15)12-11(16-8)7-4-2-1-3-5-7/h1-5,15H,6H2,(H,13,14)
(5)Std. InChIKey: NOTOFOSPABEIMC-UHFFFAOYSA-N

Product Name

2-(4-HYDROXY-2-PHENYL-1,3-THIAZOL-5-YL)ACETIC ACID

5-Thiazoleacetic acid,4-hydroxy-2-phenyl- Specification

Related Products

Hot Products