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23187-10-2 | 5-methyl-4-phenyl-1H-imidazole-2-thiol
CAS No: 23187-10-2 Catalog No: AG01E8HP MDL No:MFCD23790651
Product Description
Catalog Number:
AG01E8HP
Chemical Name:
5-methyl-4-phenyl-1H-imidazole-2-thiol
CAS Number:
23187-10-2
Molecular Formula:
C10H10N2S
Molecular Weight:
190.2648
MDL Number:
MFCD23790651
IUPAC Name:
4-methyl-5-phenyl-1,3-dihydroimidazole-2-thione
InChI:
InChI=1S/C10H10N2S/c1-7-9(12-10(13)11-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,12,13)
InChI Key:
IPAKKGNEAWAPJQ-UHFFFAOYSA-N
SMILES:
Sc1nc(c([nH]1)C)c1ccccc1
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.264g/mol
Monoisotopic Mass:
190.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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