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Home > Imidazoles > 39908-69-5
39908-69-5 | 4,5-BIS-(4-METHOXY-PHENYL)-1,3-DIHYDRO-IMIDAZOLE-2-THIONE
CAS No: 39908-69-5 Catalog No: AG00CJ81 MDL No:MFCD00403926
Product Description
Catalog Number:
AG00CJ81
Chemical Name:
4,5-BIS-(4-METHOXY-PHENYL)-1,3-DIHYDRO-IMIDAZOLE-2-THIONE
CAS Number:
39908-69-5
Molecular Formula:
C17H16N2O2S
Molecular Weight:
312.3861
MDL Number:
MFCD00403926
IUPAC Name:
4,5-bis(4-methoxyphenyl)-1,3-dihydroimidazole-2-thione
InChI:
InChI=1S/C17H16N2O2S/c1-20-13-7-3-11(4-8-13)15-16(19-17(22)18-15)12-5-9-14(21-2)10-6-12/h3-10H,1-2H3,(H2,18,19,22)
InChI Key:
NZKLDYYRLVFZCE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)OC)S
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.093g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
312.387g/mol
Monoisotopic Mass:
312.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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