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107263-89-8 | Thiazole, 4-ethynyl-2-methyl-
CAS No: 107263-89-8 Catalog No: AG008U9P MDL No:MFCD18207414
Product Description
Catalog Number:
AG008U9P
Chemical Name:
Thiazole, 4-ethynyl-2-methyl-
CAS Number:
107263-89-8
Molecular Formula:
C6H5NS
Molecular Weight:
123.1756
MDL Number:
MFCD18207414
IUPAC Name:
4-ethynyl-2-methyl-1,3-thiazole
InChI:
InChI=1S/C6H5NS/c1-3-6-4-8-5(2)7-6/h1,4H,2H3
InChI Key:
FYWOKPLZXCNQSZ-UHFFFAOYSA-N
SMILES:
Cc1nc(cs1)C#C
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.014g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
123.173g/mol
Monoisotopic Mass:
123.014g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Potent mGluR5 antagonists: pyridyl and thiazolyl-ethynyl-3,5-disubstituted-phenyl series. | Bioorganic & medicinal chemistry letters 20110601 |
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