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Home > Imidazoles > 6857-34-7
6857-34-7 | 4-phenyl-1H-imidazole-2-thiol
CAS No: 6857-34-7 Catalog No: AG00FBSC MDL No:MFCD00460555
Product Description
Catalog Number:
AG00FBSC
Chemical Name:
4-phenyl-1H-imidazole-2-thiol
CAS Number:
6857-34-7
Molecular Formula:
C9H8N2S
Molecular Weight:
176.2382
MDL Number:
MFCD00460555
IUPAC Name:
4-phenyl-1,3-dihydroimidazole-2-thione
InChI:
InChI=1S/C9H8N2S/c12-9-10-6-8(11-9)7-4-2-1-3-5-7/h1-6H,(H2,10,11,12)
InChI Key:
ISOLPDRTYOTMTO-UHFFFAOYSA-N
SMILES:
S=c1[nH]cc([nH]1)c1ccccc1
NSC Number:
45834
Properties
Complexity:
217
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:
2
Isotope Atom Count:
0
Molecular Weight:
176.237g/mol
Monoisotopic Mass:
176.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| 4-Phenyl-1H-imidazole-2(3H)-thione. | Acta crystallographica. Section E, Structure reports online 20120601 |
| 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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