Basic information
- CAS
28519-32-6- Standard SMILES
CCCCCCSS(=O)(=O)c1ccc(C)cc1- InChIKey
YCOCBHPNOONOQR-UHFFFAOYSA-N- Molecular formula
- C13H20O2S2
- Average molar mass
- 272.4 g/mol
- Monoisotopic mass
- 272.09047222
Names & identifiers
- Preferred name
- p-Toluenesulfonic acid, thio-, S-hexyl ester
- IUPAC
- 1-hexylsulfanylsulfonyl-4-methylbenzene
- English name
- 4-Methylbenzenesulfonothioic acid S-hexyl ester
- Molecular weight
- 0
Names & synonyms
28519-32-6p-Toluenesulfonic acid, thio-, S-hexyl esterDTXSID80182737RefChem:1094230DTXCID20105228S-Hexyl p-toluenethiosulfonateNSC 124768BRN 2697259SCHEMBL29158190NSC124768p-Toluenesulfonic acid, S-hexyl esterNSC-124768
Show more names
1-hexylsulfanylsulfonyl-4-methylbenzene4-Methylbenzenesulfonothioic acid S-hexyl ester
S-Hexyl 4-methylbenzene-1-sulfonothioate
Database identifiers
- CAS
28519-32-6- PubChem CID
- 97459
- DTXSID
DTXSID80182737- Nikkaji
- J85.041A
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 285
Chemistry & industry
Suppliers1 total
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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