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16218-88-5 | 2H-Imidazole-2-thione, 1-amino-1,3-dihydro-4-phenyl-
CAS No: 16218-88-5 Catalog No: AG001SU8 MDL No:
Product Description
Catalog Number:
AG001SU8
Chemical Name:
2H-Imidazole-2-thione, 1-amino-1,3-dihydro-4-phenyl-
CAS Number:
16218-88-5
Molecular Formula:
C9H9N3S
Molecular Weight:
191.2529
IUPAC Name:
3-amino-5-phenyl-1H-imidazole-2-thione
InChI:
InChI=1S/C9H9N3S/c10-12-6-8(11-9(12)13)7-4-2-1-3-5-7/h1-6H,10H2,(H,11,13)
InChI Key:
ZDIHAIJCTCESGY-UHFFFAOYSA-N
SMILES:
Nn1cc([nH]c1=S)c1ccccc1
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.052g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.252g/mol
Monoisotopic Mass:
191.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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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