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138609-95-7 | Benzene, 1,1'-[1,1,2,2-tetrakis(propylthio)-1,2-ethanediyl]bis- (9CI)
CAS No: 138609-95-7 Catalog No: AG0018UY MDL No:
Product Description
Catalog Number:
AG0018UY
Chemical Name:
Benzene, 1,1'-[1,1,2,2-tetrakis(propylthio)-1,2-ethanediyl]bis- (9CI)
CAS Number:
138609-95-7
Molecular Formula:
C26H38S4
Molecular Weight:
478.8399
IUPAC Name:
[2-phenyl-1,1,2,2-tetrakis(propylsulfanyl)ethyl]benzene
InChI:
InChI=1S/C26H38S4/c1-5-19-27-25(28-20-6-2,23-15-11-9-12-16-23)26(29-21-7-3,30-22-8-4)24-17-13-10-14-18-24/h9-18H,5-8,19-22H2,1-4H3
InChI Key:
VXHGQDLAHXLZQV-UHFFFAOYSA-N
SMILES:
CCCSC(C(c1ccccc1)(SCCC)SCCC)(c1ccccc1)SCCC
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
478.186g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
478.83g/mol
Monoisotopic Mass:
478.186g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.3
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