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25433-10-7 | 1H-Imidazole, 2-(methylthio)-4-phenyl-
CAS No: 25433-10-7 Catalog No: AG007NAN MDL No:MFCD08050850
Product Description
Catalog Number:
AG007NAN
Chemical Name:
1H-Imidazole, 2-(methylthio)-4-phenyl-
CAS Number:
25433-10-7
Molecular Formula:
C10H10N2S
Molecular Weight:
190.2648
MDL Number:
MFCD08050850
IUPAC Name:
2-methylsulfanyl-5-phenyl-1H-imidazole
InChI:
InChI=1S/C10H10N2S/c1-13-10-11-7-9(12-10)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)
InChI Key:
SCDFQOARUYGTJV-UHFFFAOYSA-N
SMILES:
CSc1[nH]cc(n1)c1ccccc1
Properties
Complexity:
157
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:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.264g/mol
Monoisotopic Mass:
190.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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