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89442-55-7 | 1H-1,2,4-Triazole, 1-[2-methyl-2-phenyl-1-(phenylthio)propyl]-
CAS No: 89442-55-7 Catalog No: AG0044JI MDL No:
Product Description
Catalog Number:
AG0044JI
Chemical Name:
1H-1,2,4-Triazole, 1-[2-methyl-2-phenyl-1-(phenylthio)propyl]-
CAS Number:
89442-55-7
Molecular Formula:
C18H19N3S
Molecular Weight:
309.4286
IUPAC Name:
1-(2-methyl-2-phenyl-1-phenylsulfanylpropyl)-1,2,4-triazole
InChI:
InChI=1S/C18H19N3S/c1-18(2,15-9-5-3-6-10-15)17(21-14-19-13-20-21)22-16-11-7-4-8-12-16/h3-14,17H,1-2H3
InChI Key:
IASIDUJRTUSDNS-UHFFFAOYSA-N
SMILES:
CC(C(n1ncnc1)Sc1ccccc1)(c1ccccc1)C
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.13g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.431g/mol
Monoisotopic Mass:
309.13g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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