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Home > Imidazoles > 1082387-98-1
1082387-98-1 | {1-[(4-methylphenyl)methyl]-2-sulfanyl-1H-imidazol-5-yl}methanol
CAS No: 1082387-98-1 Catalog No: AG00JWKC MDL No:MFCD11588983
Product Description
Catalog Number:
AG00JWKC
Chemical Name:
{1-[(4-methylphenyl)methyl]-2-sulfanyl-1H-imidazol-5-yl}methanol
CAS Number:
1082387-98-1
Molecular Formula:
C12H14N2OS
Molecular Weight:
234.3174
MDL Number:
MFCD11588983
IUPAC Name:
4-(hydroxymethyl)-3-[(4-methylphenyl)methyl]-1H-imidazole-2-thione
InChI:
InChI=1S/C12H14N2OS/c1-9-2-4-10(5-3-9)7-14-11(8-15)6-13-12(14)16/h2-6,15H,7-8H2,1H3,(H,13,16)
InChI Key:
UIPANRBZYXMECB-UHFFFAOYSA-N
SMILES:
OCc1cnc(n1Cc1ccc(cc1)C)S
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.083g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
234.317g/mol
Monoisotopic Mass:
234.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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