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111600-88-5 | Thiazole, 4-(phenylethynyl)-
CAS No: 111600-88-5 Catalog No: AG007SNE MDL No:
Product Description
Catalog Number:
AG007SNE
Chemical Name:
Thiazole, 4-(phenylethynyl)-
CAS Number:
111600-88-5
Molecular Formula:
C11H7NS
Molecular Weight:
185.2450
IUPAC Name:
4-(2-phenylethynyl)-1,3-thiazole
InChI:
InChI=1S/C11H7NS/c1-2-4-10(5-3-1)6-7-11-8-13-9-12-11/h1-5,8-9H
InChI Key:
RESHTYCQJVKIMQ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C#Cc1cscn1
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.03g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.244g/mol
Monoisotopic Mass:
185.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| 3-[(2-Methyl-1,3-thiazol-4-yl)ethynyl]-pyridine: a potent and highly selective metabotropic glutamate subtype 5 receptor antagonist with anxiolytic activity. | Journal of medicinal chemistry 20030116 |
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