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7210-75-5 | 2-BENZOYLTHIAZOLE
CAS No: 7210-75-5 Catalog No: AG00FE52 MDL No:MFCD06201650
Product Description
Catalog Number:
AG00FE52
Chemical Name:
2-BENZOYLTHIAZOLE
CAS Number:
7210-75-5
Molecular Formula:
C10H7NOS
Molecular Weight:
189.2337
MDL Number:
MFCD06201650
IUPAC Name:
phenyl(1,3-thiazol-2-yl)methanone
InChI:
InChI=1S/C10H7NOS/c12-9(10-11-6-7-13-10)8-4-2-1-3-5-8/h1-7H
InChI Key:
JLTSGRABZPTRMS-UHFFFAOYSA-N
SMILES:
O=C(c1nccs1)c1ccccc1
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.025g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.232g/mol
Monoisotopic Mass:
189.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Substituent effects in carbon-nitrogen cleavage of thiamin derivatives. Fragmentation pathways and enzymic avoidance of cofactor destruction. | Journal of the American Chemical Society 20020227 |
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