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89442-51-3 | 1H-1,2,4-Triazole, 1-[2-methyl-1-[(4-methylphenyl)thio]-2-phenylpropyl]-
CAS No: 89442-51-3 Catalog No: AG0043FL MDL No:
Product Description
Catalog Number:
AG0043FL
Chemical Name:
1H-1,2,4-Triazole, 1-[2-methyl-1-[(4-methylphenyl)thio]-2-phenylpropyl]-
CAS Number:
89442-51-3
Molecular Formula:
C19H21N3S
Molecular Weight:
323.4551
IUPAC Name:
1-[2-methyl-1-(4-methylphenyl)sulfanyl-2-phenylpropyl]-1,2,4-triazole
InChI:
InChI=1S/C19H21N3S/c1-15-9-11-17(12-10-15)23-18(22-14-20-13-21-22)19(2,3)16-7-5-4-6-8-16/h4-14,18H,1-3H3
InChI Key:
FLBDZWPBMUCCTN-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)SC(C(c1ccccc1)(C)C)n1cncn1
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.146g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.458g/mol
Monoisotopic Mass:
323.146g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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