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205318-76-9 | 1H-1,2,4-Triazole, 3,3'-[1,3-propanediylbis(thio)]bis[5-phenyl- (9CI)
CAS No: 205318-76-9 Catalog No: AG0029ZG MDL No:
Product Description
Catalog Number:
AG0029ZG
Chemical Name:
1H-1,2,4-Triazole, 3,3'-[1,3-propanediylbis(thio)]bis[5-phenyl- (9CI)
CAS Number:
205318-76-9
Molecular Formula:
C19H18N6S2
Molecular Weight:
394.5164
IUPAC Name:
5-phenyl-3-[3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propylsulfanyl]-1H-1,2,4-triazole
InChI:
InChI=1S/C19H18N6S2/c1-3-8-14(9-4-1)16-20-18(24-22-16)26-12-7-13-27-19-21-17(23-25-19)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2,(H,20,22,24)(H,21,23,25)
InChI Key:
OQLVDSCBCZIFIX-UHFFFAOYSA-N
SMILES:
C(CSc1n[nH]c(n1)c1ccccc1)CSc1n[nH]c(n1)c1ccccc1
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.103g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
394.515g/mol
Monoisotopic Mass:
394.103g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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