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Home > Imidazoles > 154548-79-5
154548-79-5 | 1-phenyl-4-(thiophen-2-yl)-1H-imidazole-2-thiol
CAS No: 154548-79-5 Catalog No: AG019IJ0 MDL No:MFCD04623487
Product Description
Catalog Number:
AG019IJ0
Chemical Name:
1-phenyl-4-(thiophen-2-yl)-1H-imidazole-2-thiol
CAS Number:
154548-79-5
Molecular Formula:
C13H10N2S2
Molecular Weight:
258.3619
MDL Number:
MFCD04623487
IUPAC Name:
3-phenyl-5-thiophen-2-yl-1H-imidazole-2-thione
InChI:
InChI=1S/C13H10N2S2/c16-13-14-11(12-7-4-8-17-12)9-15(13)10-5-2-1-3-6-10/h1-9H,(H,14,16)
InChI Key:
JWNJLMSOHQHFTF-UHFFFAOYSA-N
SMILES:
Sc1nc(cn1c1ccccc1)c1cccs1
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.029g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.357g/mol
Monoisotopic Mass:
258.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| 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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