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Home > Imidazoles > 139975-95-4
139975-95-4 | 1H-Imidazole, 2-[2-(methylthio)phenyl]-
CAS No: 139975-95-4 Catalog No: AG001BVU MDL No:
Product Description
Catalog Number:
AG001BVU
Chemical Name:
1H-Imidazole, 2-[2-(methylthio)phenyl]-
CAS Number:
139975-95-4
Molecular Formula:
C10H10N2S
Molecular Weight:
190.2648
IUPAC Name:
2-(2-methylsulfanylphenyl)-1H-imidazole
InChI:
InChI=1S/C10H10N2S/c1-13-9-5-3-2-4-8(9)10-11-6-7-12-10/h2-7H,1H3,(H,11,12)
InChI Key:
NJOSRIUYJLYDOW-UHFFFAOYSA-N
SMILES:
CSc1ccccc1c1ncc[nH]1
Properties
Complexity:
163
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:
2.2
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