Benzenesulfonothioic acid, 4-methyl-, S1,S1'-1,2-ethanediyl ester
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Basic information
- CAS
2225-23-2- Standard SMILES
Cc1ccc(S(=O)(=O)SCCSS(=O)(=O)c2ccc(C)cc2)cc1- InChIKey
DUFUGAKEFZRFEQ-UHFFFAOYSA-N- Molecular formula
- C16H18O4S4
- Average molar mass
- 402.6 g/mol
- Monoisotopic mass
- 402.00879375
Names & identifiers
- Preferred name
- Benzenesulfonothioic acid, 4-methyl-, S1,S1'-1,2-ethanediyl ester
- IUPAC
- 1-methyl-4-[2-(4-methylphenyl)sulfonylsulfanylethylsulfanylsulfonyl]benzene
- English name
- ETHYLENE DI(THIOTOSYLATE)
- Molecular formula
- C16H18O4S4
- Molecular weight
- 402.57
Names & synonyms
2225-23-2Ethylene S,S'-4-toluenethiosulphonateDTXSID60176790BENZENESULFONOTHIOIC ACID, 4-METHYL-, S1,S1'-1,2-ETHANEDIYL ESTERRefChem:1078727DTXCID0099281218-752-5Ethylene Di(thiotosylate)MFCD00008550s,s'-ethane-1,2-diyl bis(4-methylbenzenesulfonothioate)1-methyl-4-[2-(4-methylphenyl)sulfonylsulfanylethylsulfanylsulfonyl]benzeneEthylene Di(thiotosylate) [Protecting Reagent for Active Methylene]
Show more names
Ethylene diEthylenebis(tosyl sulfide)protectingreagentforactivemethyleneS,S'-ETHYLENE P-TOLUENETHIOSULFONATES,S'-ETHYLENE DI(P-TOLUENETHIOSULFONATE)
7P5LT3ZP9FEthylene S,S'-4-toluenethiosulfonateS,S'-(ethane-1,2-diyl) bis(4-methylbenzenesulfonothioate)Ethylenedithiotosylate1,2-Di(p-tosylthio)ethane1,2-Ethanedithiol DitosylateEthylene Bis(p-toluenethiosulfonate)UNII-7P5LT3ZP9F
Database identifiers
- CAS
2225-23-2- PubChem CID
- 75212
- DTXSID
DTXSID60176790- UNII
- 7P5LT3ZP9F
- EC Number
- 218-752-5
- Nikkaji
- J299.185C
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 519
Physicochemical properties
- Melting point
- 72 · 72-75 °C(lit.)
- form
- powder to crystal
- color
- White to Almost white
- CAS DataBase Reference
- 2225 · 2225-23-2
- FDA UNII
- 7 P5LT3ZP9F · 7P5LT3ZP9F
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
- HS Code
- 2930.9 · 2930.90.2900
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- hs_code
- 2930.90.2900
- safety_code
- 22-24/25
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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