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4388-22-1 | Bis(phenylsulfonyl)sulfide
CAS No: 4388-22-1 Catalog No: AG0038QG MDL No:MFCD00094733
Product Description
Catalog Number:
AG0038QG
Chemical Name:
Bis(phenylsulfonyl)sulfide
CAS Number:
4388-22-1
Molecular Formula:
C12H10O4S3
Molecular Weight:
314.4004
MDL Number:
MFCD00094733
IUPAC Name:
benzenesulfonylsulfanylsulfonylbenzene
InChI:
InChI=1S/C12H10O4S3/c13-18(14,11-7-3-1-4-8-11)17-19(15,16)12-9-5-2-6-10-12/h1-10H
InChI Key:
YQUSJUJNDKUWAM-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccccc1)SS(=O)(=O)c1ccccc1
NSC Number:
85600
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.974g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.388g/mol
Monoisotopic Mass:
313.974g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Synthesis, structures, and properties of disubstituted heteroacenes on one side containing both pyrrole and thiophene rings. | The Journal of organic chemistry 20080620 |
| A new concise strategy for synthesis of dibenzo[b,f]thiepins and related fused symmetrical thiepin derivatives. | The Journal of organic chemistry 20071109 |
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