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Home > Imidazoles > 1338979-34-2
1338979-34-2 | 1-(4-methoxy-2-methylphenyl)-1H-imidazole-2-thiol
CAS No: 1338979-34-2 Catalog No: AG01A6DT MDL No:MFCD17238075
Product Description
Catalog Number:
AG01A6DT
Chemical Name:
1-(4-methoxy-2-methylphenyl)-1H-imidazole-2-thiol
CAS Number:
1338979-34-2
Molecular Formula:
C11H12N2OS
Molecular Weight:
220.2908
MDL Number:
MFCD17238075
IUPAC Name:
3-(4-methoxy-2-methylphenyl)-1H-imidazole-2-thione
InChI:
InChI=1S/C11H12N2OS/c1-8-7-9(14-2)3-4-10(8)13-6-5-12-11(13)15/h3-7H,1-2H3,(H,12,15)
InChI Key:
VJTCCWVNLFWRJK-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C)n1ccnc1S
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.067g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.29g/mol
Monoisotopic Mass:
220.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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