Benzoic acid,3-(2-thiazolyl)- supplier

Name
3-THIAZOL-2-YL-BENZOIC ACID
EINECS
CAS No. 847956-27-8
Article Data4
CAS DataBase
Density 1.368 g/cm³
Solubility
Melting Point 160.5 °C
Formula C₁₀H₇NO₂S
Boiling Point 423.4 °C at 760 mmHg
Molecular Weight 205.237
Flash Point 209.8 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 3-(1,3-Thiazol-2-yl)benzoicacid;
PSA 78.43000
LogP 2.50830

Benzoic acid,3-(2-thiazolyl)- Specification

The Benzoic acid,3-(2-thiazolyl)-, with the CAS registry number 847956-27-8, is also known as 3-Thiazol-2-yl-benzoic acid. This chemical's molecular formula is C₁₀H₇NO₂S and molecular weight is 205.23. What's more, its systematic name is called 3-(1,3-Thiazol-2-yl)benzoic acid.

Physical properties about Benzoic acid,3-(2-thiazolyl)- are: (1) ACD/LogP: 3.19; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.59; (4) ACD/LogD (pH 7.4): 0.2; (5) ACD/BCF (pH 5.5): 3.91; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 32.35; (8) ACD/KOC (pH 7.4): 1.32; (9) #H bond acceptors: 3; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 78.43 Å²; (13) Index of Refraction: 1.643; (14) Molar Refractivity: 54.25 cm³; (15) Molar Volume: 149.9 cm³; (16) Surface Tension: 61.5 dyne/cm; (17) Density: 1.368 g/cm³; (18) Flash Point: 209.8 °C; (19) Enthalpy of Vaporization: 71.44 kJ/mol; (20) Boiling Point: 423.4 °C at 760 mmHg; (21) Vapour Pressure: 6.35E-08 mmHg at 25 °C; (22) Melting Point: 160.5 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)c1cccc(c1)c2nccs2
(2) InChI: InChI=1/C10H7NO2S/c12-10(13)8-3-1-2-7(6-8)9-11-4-5-14-9/h1-6H,(H,12,13)
(3) InChIKey: BLFSSABBFANDKK-UHFFFAOYAT

Product Name

3-THIAZOL-2-YL-BENZOIC ACID

Benzoic acid,3-(2-thiazolyl)- Specification

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