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685542-86-3 | 1-Methyl-5-(4-methylphenyl)-1H-imidazole-2-thiol
CAS No: 685542-86-3 Catalog No: AG019O4I MDL No:MFCD04112442
Product Description
Catalog Number:
AG019O4I
Chemical Name:
1-Methyl-5-(4-methylphenyl)-1H-imidazole-2-thiol
CAS Number:
685542-86-3
Molecular Formula:
C11H12N2S
Molecular Weight:
204.2914
MDL Number:
MFCD04112442
IUPAC Name:
3-methyl-4-(4-methylphenyl)-1H-imidazole-2-thione
InChI:
InChI=1S/C11H12N2S/c1-8-3-5-9(6-4-8)10-7-12-11(14)13(10)2/h3-7H,1-2H3,(H,12,14)
InChI Key:
VMZQEGXILQTNFU-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1cnc(n1C)S
Properties
Complexity:
265
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:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.291g/mol
Monoisotopic Mass:
204.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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