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Home > Imidazoles > 75849-98-8
75849-98-8 | 1H-Imidazole, 2-(cyclopropylthio)-4,5-bis(4-methoxyphenyl)-
CAS No: 75849-98-8 Catalog No: AG005TXX MDL No:
Product Description
Catalog Number:
AG005TXX
Chemical Name:
1H-Imidazole, 2-(cyclopropylthio)-4,5-bis(4-methoxyphenyl)-
CAS Number:
75849-98-8
Molecular Formula:
C20H20N2O2S
Molecular Weight:
352.4500
IUPAC Name:
2-cyclopropylsulfanyl-4,5-bis(4-methoxyphenyl)-1H-imidazole
InChI:
InChI=1S/C20H20N2O2S/c1-23-15-7-3-13(4-8-15)18-19(14-5-9-16(24-2)10-6-14)22-20(21-18)25-17-11-12-17/h3-10,17H,11-12H2,1-2H3,(H,21,22)
InChI Key:
BJMBMLKTQNEKFH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)OC)SC1CC1
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.125g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
352.452g/mol
Monoisotopic Mass:
352.125g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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