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127022-77-9 | Benzene, 1,2,3,4,5,6-hexakis[(phenylmethyl)thio]-
CAS No: 127022-77-9 Catalog No: AG000WK4 MDL No:
Product Description
Catalog Number:
AG000WK4
Chemical Name:
Benzene, 1,2,3,4,5,6-hexakis[(phenylmethyl)thio]-
CAS Number:
127022-77-9
Molecular Formula:
C48H42S6
Molecular Weight:
811.2371
IUPAC Name:
1,2,3,4,5,6-hexakis(benzylsulfanyl)benzene
InChI:
InChI=1S/C48H42S6/c1-7-19-37(20-8-1)31-49-43-44(50-32-38-21-9-2-10-22-38)46(52-34-40-25-13-4-14-26-40)48(54-36-42-29-17-6-18-30-42)47(53-35-41-27-15-5-16-28-41)45(43)51-33-39-23-11-3-12-24-39/h1-30H,31-36H2
InChI Key:
GXJBMANBXLNSJX-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CSc1c(SCc2ccccc2)c(SCc2ccccc2)c(c(c1SCc1ccccc1)SCc1ccccc1)SCc1ccccc1
Properties
Complexity:
758
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
810.161g/mol
Formal Charge:
0
Heavy Atom Count:
54
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
811.224g/mol
Monoisotopic Mass:
810.161g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
14
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