Basic information
- CAS
28519-30-4- Standard SMILES
CCSS(=O)(=O)c1ccc(C)cc1- InChIKey
ZHDRHFQEQCTJNX-UHFFFAOYSA-N- Molecular formula
- C9H12O2S2
- Average molar mass
- 216.3 g/mol
- Monoisotopic mass
- 216.02787197
Names & identifiers
- Preferred name
- 1-Ethylsulfanylsulfonyl-4-methylbenzene
- IUPAC
- 1-ethylsulfanylsulfonyl-4-methylbenzene
Names & synonyms
28519-30-4S-ethyl p-toluenethiosulfonate1-ethylsulfanylsulfonyl-4-methylbenzeneToluene sulfonic acid thioethyl esterSCHEMBL5346456DTXSID90333076ZHDRHFQEQCTJNX-UHFFFAOYSA-NS-ethyl 4-methylbenzenesulfonothioate1-ethylsulfanylsulfonyl-4-methyl-benzeneS-Ethyl 4-methylbenzene-1-sulfonothioate
Database identifiers
- CAS
28519-30-4- PubChem CID
- 480041
- DTXSID
DTXSID90333076- Nikkaji
- J329.909K
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 233
Related reactions
2 records
Compound notes
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