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Home > Imidazoles > 857812-21-6
857812-21-6 | 4-(4-Hydroxybenzyl)-5-methyl-1,3-dihydro-2H-imidazole-2-thione
CAS No: 857812-21-6 Catalog No: AG00JA1O MDL No:MFCD06618358
Product Description
Catalog Number:
AG00JA1O
Chemical Name:
4-(4-Hydroxybenzyl)-5-methyl-1,3-dihydro-2H-imidazole-2-thione
CAS Number:
857812-21-6
Molecular Formula:
C11H12N2OS
Molecular Weight:
220.2908
MDL Number:
MFCD06618358
IUPAC Name:
4-[(4-hydroxyphenyl)methyl]-5-methyl-1,3-dihydroimidazole-2-thione
InChI:
InChI=1S/C11H12N2OS/c1-7-10(13-11(15)12-7)6-8-2-4-9(14)5-3-8/h2-5,14H,6H2,1H3,(H2,12,13,15)
InChI Key:
WOFYYOWIXXRSHN-UHFFFAOYSA-N
SMILES:
Cc1[nH]c(=S)[nH]c1Cc1ccc(cc1)O
Properties
Complexity:
293
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:
3
Isotope Atom Count:
0
Molecular Weight:
220.29g/mol
Monoisotopic Mass:
220.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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