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168764-51-0 | 2,5,9,12-Tetrathiatridecane, 1,13-diphenyl-
CAS No: 168764-51-0 Catalog No: AG001Y9B MDL No:
Product Description
Catalog Number:
AG001Y9B
Chemical Name:
2,5,9,12-Tetrathiatridecane, 1,13-diphenyl-
CAS Number:
168764-51-0
Molecular Formula:
C21H28S4
Molecular Weight:
408.7070
IUPAC Name:
2-[3-(2-benzylsulfanylethylsulfanyl)propylsulfanyl]ethylsulfanylmethylbenzene
InChI:
InChI=1S/C21H28S4/c1-3-8-20(9-4-1)18-24-16-14-22-12-7-13-23-15-17-25-19-21-10-5-2-6-11-21/h1-6,8-11H,7,12-19H2
InChI Key:
RWAVRASHEIWHTA-UHFFFAOYSA-N
SMILES:
C(CSCCSCc1ccccc1)CSCCSCc1ccccc1
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.107g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
408.695g/mol
Monoisotopic Mass:
408.107g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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