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Home > Imidazoles > 74730-81-7
74730-81-7 | 4-(2-mercapto-1-methyl-1H-imidazol-4-yl)phenol
CAS No: 74730-81-7 Catalog No: AG00JHDO MDL No:MFCD09416999
Product Description
Catalog Number:
AG00JHDO
Chemical Name:
4-(2-mercapto-1-methyl-1H-imidazol-4-yl)phenol
CAS Number:
74730-81-7
Molecular Formula:
C10H10N2OS
Molecular Weight:
206.2642
MDL Number:
MFCD09416999
IUPAC Name:
5-(4-hydroxyphenyl)-3-methyl-1H-imidazole-2-thione
InChI:
InChI=1S/C10H10N2OS/c1-12-6-9(11-10(12)14)7-2-4-8(13)5-3-7/h2-6,13H,1H3,(H,11,14)
InChI Key:
SZAQUCLSYQQHBS-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1cn(c(n1)S)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.263g/mol
Monoisotopic Mass:
206.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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