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Home > Imidazoles > 17452-09-4
17452-09-4 | 2H-Imidazole-2-thione, 1,3-dihydro-1-phenyl-
CAS No: 17452-09-4 Catalog No: AG001ZQY MDL No:MFCD00127929
Product Description
Catalog Number:
AG001ZQY
Chemical Name:
2H-Imidazole-2-thione, 1,3-dihydro-1-phenyl-
CAS Number:
17452-09-4
Molecular Formula:
C9H8N2S
Molecular Weight:
176.2382
MDL Number:
MFCD00127929
IUPAC Name:
3-phenyl-1H-imidazole-2-thione
InChI:
InChI=1S/C9H8N2S/c12-9-10-6-7-11(9)8-4-2-1-3-5-8/h1-7H,(H,10,12)
InChI Key:
VXEUGLRMYAXWKM-UHFFFAOYSA-N
SMILES:
S=c1[nH]ccn1c1ccccc1
NSC Number:
513730
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.041g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.237g/mol
Monoisotopic Mass:
176.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Synthesis and structural characterization of mixed-metal complexes of Cu(I) with MOS3 cores (M = Mo, W) and of an unusual polymeric AgI/mercaptoimidazole complex with five different Ag(I) coordination environments. | Dalton transactions (Cambridge, England : 2003) 20110328 |
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