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25433-15-2 | 1H-Imidazole, 1-methyl-2-(methylthio)-5-phenyl-
CAS No: 25433-15-2 Catalog No: AG007N57 MDL No:
Product Description
Catalog Number:
AG007N57
Chemical Name:
1H-Imidazole, 1-methyl-2-(methylthio)-5-phenyl-
CAS Number:
25433-15-2
Molecular Formula:
C11H12N2S
Molecular Weight:
204.2914
IUPAC Name:
1-methyl-2-methylsulfanyl-5-phenylimidazole
InChI:
InChI=1S/C11H12N2S/c1-13-10(8-12-11(13)14-2)9-6-4-3-5-7-9/h3-8H,1-2H3
InChI Key:
LSLHTSZRWOOYPM-UHFFFAOYSA-N
SMILES:
CSc1ncc(n1C)c1ccccc1
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.072g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.291g/mol
Monoisotopic Mass:
204.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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