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16302-98-0 | Benzenemethanesulfinothioic acid, S-(phenylmethyl) ester
CAS No: 16302-98-0 Catalog No: AG001TMR MDL No:
Product Description
Catalog Number:
AG001TMR
Chemical Name:
Benzenemethanesulfinothioic acid, S-(phenylmethyl) ester
CAS Number:
16302-98-0
Molecular Formula:
C14H14OS2
Molecular Weight:
262.3904
IUPAC Name:
benzylsulfinylsulfanylmethylbenzene
InChI:
InChI=1S/C14H14OS2/c15-17(12-14-9-5-2-6-10-14)16-11-13-7-3-1-4-8-13/h1-10H,11-12H2
InChI Key:
VUJONJHZKSZFSA-UHFFFAOYSA-N
SMILES:
O=S(Cc1ccccc1)SCc1ccccc1
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.049g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.385g/mol
Monoisotopic Mass:
262.049g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| The reaction of sulfenic acids with peroxyl radicals: insights into the radical-trapping antioxidant activity of plant-derived thiosulfinates. | Chemistry (Weinheim an der Bergstrasse, Germany) 20120514 |
| Allicin and derivates are cysteine protease inhibitors with antiparasitic activity. | Bioorganic & medicinal chemistry letters 20100915 |
| Discovery and characterization of a novel lachrymatory factor synthase in Petiveria alliacea and its influence on alliinase-mediated formation of biologically active organosulfur compounds. | Plant physiology 20091101 |
| Studies of a novel cysteine sulfoxide lyase from Petiveria alliacea: the first heteromeric alliinase. | Plant physiology 20091101 |
| Antioxidant activity of the new thiosulfinate derivative, S-benzyl phenylmethanethiosulfinate, from Petiveria alliacea L. | Organic & biomolecular chemistry 20080321 |
| Antibacterial and antifungal activity of sulfur-containing compounds from Petiveria alliacea L. | Journal of ethnopharmacology 20060308 |
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