13,16-Dithiaoctacosane
Basic information
- CAS
10050-04-1- Standard SMILES
CCCCCCCCCCCCSCCSCCCCCCCCCCCC- InChIKey
WXXCXXVZIQCGNZ-UHFFFAOYSA-N- Molecular formula
- C26H54S2
- Average molar mass
- 430.8 g/mol
- Monoisotopic mass
- 430.36669407
Names & identifiers
- Preferred name
- 13,16-Dithiaoctacosane
- IUPAC
- 1-(2-dodecylsulfanylethylsulfanyl)dodecane
- English name
- 13,16-Dithiaoctacosane
- Molecular weight
- 0
Names & synonyms
13,16-DITHIAOCTACOSANE10050-04-196NT3DHX9YNSC 508903BRN 1786845UNII-96NT3DHX9YDodecane, 1,1'-(1,2-ethanediylbis(thio))bis-NSC-5089033-01-00-02134 (Beilstein Handbook Reference)DTXSID101433511,2-BIS(DODECYLTHIO)ETHANE1,2-DILAURYL DITHIOETHYLENE
Show more names
ETHANE, 1,2-BIS(DODECYLTHIO)-1-((2-(DODECYLTHIO)ETHYL)THIO)DODECANEDODECANE, 1-((2-(DODECYLTHIO)ETHYL)THIO)-RefChem:78379DTXCID6065842Dodecane, 1,1'-(1,2-ethanediylbis(thio))bis-(9CI)1-(2-dodecylsulfanylethylsulfanyl)dodecaneNSC508903
Database identifiers
- CAS
10050-04-1- PubChem CID
- 24875
- DTXSID
DTXSID10143351- UNII
- 96NT3DHX9Y
- Nikkaji
- J42.234G
Properties
Computed structural properties
- XLogP
- 12.7
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 25
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 96 NT3DHX9Y · 96NT3DHX9Y
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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