S-(tert-Butyl) 4-methylbenzenesulfonothioate
Basic information
- CAS
2943-19-3- Standard SMILES
Cc1ccc(S(=O)(=O)SC(C)(C)C)cc1- InChIKey
DWUPUYSPVAQOBQ-UHFFFAOYSA-N- Molecular formula
- C11H16O2S2
- Average molar mass
- 244.4 g/mol
- Monoisotopic mass
- 244.0591721
Names & identifiers
- Preferred name
- S-(tert-Butyl) 4-methylbenzenesulfonothioate
- IUPAC
- 1-tert-butylsulfanylsulfonyl-4-methylbenzene
Names & synonyms
2943-19-3S-(tert-Butyl) 4-methylbenzenesulfonothioateD38O9IQK3GS-tert-Butyl p-toluenethiosulfonateNSC342017UNII-D38O9IQK3GNSC 342017NSC-342017TERT-BUTYL TOSYL SULFIDECHEMBL1975915SCHEMBL16940169DTXSID80183643
Show more names
NCI60_0030341-tert-butylsulfanylsulfonyl-4-methyl-benzeneS-tert-Butyl 4-methylbenzene-1-sulfonothioateP-TOLUENESULFONIC ACID, THIO-, S-TERT-BUTYL ESTER
Database identifiers
- CAS
2943-19-3- PubChem CID
- 334893
- DTXSID
DTXSID80183643- ChEMBL
CHEMBL1975915- UNII
- D38O9IQK3G
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 288
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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