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81015-49-8 | 4-(2-THIAZOLYL)PHENOL
CAS No: 81015-49-8 Catalog No: AG00G29R MDL No:MFCD07368615
Product Description
Catalog Number:
AG00G29R
Chemical Name:
4-(2-THIAZOLYL)PHENOL
CAS Number:
81015-49-8
Molecular Formula:
C9H7NOS
Molecular Weight:
177.2230
MDL Number:
MFCD07368615
IUPAC Name:
4-(1,3-thiazol-2-yl)phenol
InChI:
InChI=1S/C9H7NOS/c11-8-3-1-7(2-4-8)9-10-5-6-12-9/h1-6,11H
InChI Key:
PXNRJZLHXKIISI-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=c2scc[nH]2)C=C1
NSC Number:
11890
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.025g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.221g/mol
Monoisotopic Mass:
177.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| PPARdelta Agonism for the Treatment of Obesity and Associated Disorders: Challenges and Opportunities. | PPAR research 20080101 |
| Indanylacetic acid derivatives carrying 4-thiazolyl-phenoxy tail groups, a new class of potent PPAR alpha/gamma/delta pan agonists: synthesis, structure-activity relationship, and in vivo efficacy. | Journal of medicinal chemistry 20070308 |
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