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Home Sulfos S-Phenyl benzenethiosulfonate

S-Phenyl benzenethiosulfonate

CAS No.:
1212-08-4
Catalog Number:
AG003UEW
Molecular Formula:
C12H10O2S2
Molecular Weight:
250.3366
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Product Description
Catalog Number:
AG003UEW
Chemical Name:
S-Phenyl benzenethiosulfonate
CAS Number:
1212-08-4
Molecular Formula:
C12H10O2S2
Molecular Weight:
250.3366
MDL Number:
MFCD00014738
IUPAC Name:
benzenesulfonylsulfanylbenzene
InChI:
InChI=1S/C12H10O2S2/c13-16(14,12-9-5-2-6-10-12)15-11-7-3-1-4-8-11/h1-10H
InChI Key:
ATKJLMWDXASAJA-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccccc1)Sc1ccccc1
EC Number:
214-919-1
UNII:
NM70520Z5R
NSC Number:
74657
Properties
Complexity:
294  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.012g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.33g/mol
Monoisotopic Mass:
250.012g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
Stereochemistry of the C-S bond cleavage in cis-2-methylcyclopentyl phenyl sulfoxide radical cation. The Journal of organic chemistry 20090220
Photosensitized oxidation of alkyl phenyl sulfoxides. C-S bond cleavage in alkyl phenyl sulfoxide radical cations. The Journal of organic chemistry 20080801
Tin-free radical carbonylation: thiol ester synthesis using alkyl allyl sulfone precursors, phenyl benzenethiosulfonate, and CO. Angewandte Chemie (International ed. in English) 20050926
Evaluation of selected chemotypes in coupled cellular and molecular target-based screens identifies novel HIV-1 zinc finger inhibitors. Journal of medicinal chemistry 19960913
Properties