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100079-88-7 | Pentasulfide, diphenyl
CAS No: 100079-88-7 Catalog No: AG0000UF MDL No:
Product Description
Catalog Number:
AG0000UF
Chemical Name:
Pentasulfide, diphenyl
CAS Number:
100079-88-7
Molecular Formula:
C12H10S5
Molecular Weight:
314.5328
IUPAC Name:
(phenylpentasulfanyl)benzene
InChI:
InChI=1S/C12H10S5/c1-3-7-11(8-4-1)13-15-17-16-14-12-9-5-2-6-10-12/h1-10H
InChI Key:
MRYDYPUNTUIQAD-UHFFFAOYSA-N
SMILES:
S(SSc1ccccc1)SSc1ccccc1
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.939g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.512g/mol
Monoisotopic Mass:
313.939g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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