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79487-95-9 | 1H-Imidazole, 1-methyl-2-(phenylthio)-
CAS No: 79487-95-9 Catalog No: AG008M0Y MDL No:
Product Description
Catalog Number:
AG008M0Y
Chemical Name:
1H-Imidazole, 1-methyl-2-(phenylthio)-
CAS Number:
79487-95-9
Molecular Formula:
C10H10N2S
Molecular Weight:
190.2648
IUPAC Name:
1-methyl-2-phenylsulfanylimidazole
InChI:
InChI=1S/C10H10N2S/c1-12-8-7-11-10(12)13-9-5-3-2-4-6-9/h2-8H,1H3
InChI Key:
ORCWXWOSEJBVPQ-UHFFFAOYSA-N
SMILES:
Cn1ccnc1Sc1ccccc1
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:
0
Isotope Atom Count:
0
Molecular Weight:
190.264g/mol
Monoisotopic Mass:
190.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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