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Home > Imidazoles > 923673-73-8
923673-73-8 | 1-cyclopropyl-5-phenyl-1H-imidazole-2-thiol
CAS No: 923673-73-8 Catalog No: AG019K9B MDL No:MFCD08691185
Product Description
Catalog Number:
AG019K9B
Chemical Name:
1-cyclopropyl-5-phenyl-1H-imidazole-2-thiol
CAS Number:
923673-73-8
Molecular Formula:
C12H12N2S
Molecular Weight:
216.3021
MDL Number:
MFCD08691185
IUPAC Name:
3-cyclopropyl-4-phenyl-1H-imidazole-2-thione
InChI:
InChI=1S/C12H12N2S/c15-12-13-8-11(14(12)10-6-7-10)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,13,15)
InChI Key:
OOKLTVQKMMNYSC-UHFFFAOYSA-N
SMILES:
Sc1ncc(n1C1CC1)c1ccccc1
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.072g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.302g/mol
Monoisotopic Mass:
216.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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