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16441-25-1 | 4-Thiazoleacetonitrile, 2-phenyl-
CAS No: 16441-25-1 Catalog No: AG001UVP MDL No:MFCD00726791
Product Description
Catalog Number:
AG001UVP
Chemical Name:
4-Thiazoleacetonitrile, 2-phenyl-
CAS Number:
16441-25-1
Molecular Formula:
C11H8N2S
Molecular Weight:
200.2596
MDL Number:
MFCD00726791
IUPAC Name:
2-(2-phenyl-1,3-thiazol-4-yl)acetonitrile
InChI:
InChI=1S/C11H8N2S/c12-7-6-10-8-14-11(13-10)9-4-2-1-3-5-9/h1-5,8H,6H2
InChI Key:
KUEZREUCXWHVPK-UHFFFAOYSA-N
SMILES:
N#CCc1csc(n1)c1ccccc1
NSC Number:
11896
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.041g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.259g/mol
Monoisotopic Mass:
200.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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