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Home > Imidazoles > 4602-37-3
4602-37-3 | 2,2-dimethyl-4-phenyl-2,5-dihydro-1H-imidazole-5-thione
CAS No: 4602-37-3 Catalog No: AG00I8K0 MDL No:MFCD02311186
Product Description
Catalog Number:
AG00I8K0
Chemical Name:
2,2-dimethyl-4-phenyl-2,5-dihydro-1H-imidazole-5-thione
CAS Number:
4602-37-3
Molecular Formula:
C11H12N2S
Molecular Weight:
204.2914
MDL Number:
MFCD02311186
IUPAC Name:
2,2-dimethyl-4-phenyl-1H-imidazole-5-thione
InChI:
InChI=1S/C11H12N2S/c1-11(2)12-9(10(14)13-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,13,14)
InChI Key:
QUDYXWDELXIWSL-UHFFFAOYSA-N
SMILES:
S=C1NC(N=C1c1ccccc1)(C)C
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.072g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.291g/mol
Monoisotopic Mass:
204.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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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