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Home > Imidazoles > 136802-73-8
136802-73-8 | 2H-Imidazole-2-thione, 1-ethyl-1,3-dihydro-5-phenyl-
CAS No: 136802-73-8 Catalog No: AG019O4N MDL No:MFCD06655471
Product Description
Catalog Number:
AG019O4N
Chemical Name:
2H-Imidazole-2-thione, 1-ethyl-1,3-dihydro-5-phenyl-
CAS Number:
136802-73-8
Molecular Formula:
C11H12N2S
Molecular Weight:
204.2914
MDL Number:
MFCD06655471
IUPAC Name:
3-ethyl-4-phenyl-1H-imidazole-2-thione
InChI:
InChI=1S/C11H12N2S/c1-2-13-10(8-12-11(13)14)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,12,14)
InChI Key:
PQMVYAZFMXJQOM-UHFFFAOYSA-N
SMILES:
CCn1c(S)ncc1c1ccccc1
Properties
Complexity:
254
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:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.291g/mol
Monoisotopic Mass:
204.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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