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Home > Imidazoles > 790681-62-8
790681-62-8 | 1-(2-ISOPROPYLPHENYL)-5-(4-METHYLPHENYL)-1H-IMIDAZOLE-2-THIOL
CAS No: 790681-62-8 Catalog No: AG00G3TX MDL No:MFCD06358639
Product Description
Catalog Number:
AG00G3TX
Chemical Name:
1-(2-ISOPROPYLPHENYL)-5-(4-METHYLPHENYL)-1H-IMIDAZOLE-2-THIOL
CAS Number:
790681-62-8
Molecular Formula:
C19H20N2S
Molecular Weight:
308.4405
MDL Number:
MFCD06358639
IUPAC Name:
4-(4-methylphenyl)-3-(2-propan-2-ylphenyl)-1H-imidazole-2-thione
InChI:
InChI=1S/C19H20N2S/c1-13(2)16-6-4-5-7-17(16)21-18(12-20-19(21)22)15-10-8-14(3)9-11-15/h4-13H,1-3H3,(H,20,22)
InChI Key:
WGYRODCLCDECGP-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1cnc(n1c1ccccc1C(C)C)S
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.135g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.443g/mol
Monoisotopic Mass:
308.135g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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