Basic information
- CAS
7559-54-8- Standard SMILES
CCCCCCCCCCCCCCCCSS(=O)(=O)c1ccc(C)cc1- InChIKey
ZKVMVNHORMSSSC-UHFFFAOYSA-N- Molecular formula
- C23H40O2S2
- Average molar mass
- 412.7 g/mol
- Monoisotopic mass
- 412.24697286
Names & identifiers
- Preferred name
- p-Toluenesulfonic acid, thio-, S-hexadecyl ester
- IUPAC
- 1-hexadecylsulfanylsulfonyl-4-methylbenzene
- English name
- 4-Methylbenzenesulfonothioic acid S-hexadecyl ester
- Molecular weight
- 0
Names & synonyms
7559-54-8p-Toluenesulfonic acid, thio-, S-hexadecyl esterDTXSID00226501RefChem:1094229DTXCID60148992S-Hexadecyl p-toluenethiosulfonateNSC124772NSC 124772BRN 2705314NSC-124772p-Toluenesulfonic acid, S-hexadecyl ester1-hexadecylsulfanylsulfonyl-4-methyl-benzene
Show more names
4-Methylbenzenesulfonothioic acid S-hexadecyl ester4-Methylbenzene-1-thiosulfonic acid S-hexadecyl ester
S-Hexadecyl 4-methylbenzene-1-sulfonothioate
Database identifiers
- CAS
7559-54-8- PubChem CID
- 97462
- DTXSID
DTXSID00226501- Nikkaji
- J48.052E
Properties
Computed structural properties
- XLogP
- 9.7
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 17
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 420
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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