4,9-Dithiadodecane
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Basic information
- CAS
56348-39-1- Standard SMILES
CCCSCCCCSCCC- InChIKey
NKVHHVXGFXBRPN-UHFFFAOYSA-N- Molecular formula
- C10H22S2
- Average molar mass
- 206.4 g/mol
- Monoisotopic mass
- 206.11629305
Names & identifiers
- Preferred name
- 4,9-Dithiadodecane
- IUPAC
- 1,4-bis(propylsulfanyl)butane
- English name
- 4-Diisopropylaminobutylamine
- Molecular formula
- C10H22S2
- Molecular weight
- 206.41
Names & synonyms
1,4-bis(propylthio)butane4,9-dithiadodecane1,4-bis(propylsulfanyl)butane56348-39-11,4-Bis-propylsulfanyl-butaneFKR77BK83ANSC-163282Butane, 1,4-bis(propylthio)-DTXSID0021701RefChem:96819DTXCID901701NSC163282
Show more names
UNII-FKR77BK83ASCHEMBL917419Butane, 1,4-bis(propylthio)-?AKOS024332230
Database identifiers
- CAS
56348-39-1- PubChem CID
- 294547
- DTXSID
DTXSID0021701- UNII
- FKR77BK83A
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 64.2
Physicochemical properties
- Boiling point
- 281.8 · 281.8±23.0 °C(Predicted)
- Density
- 0.931 · 0.931±0.06 g/cm3(Predicted)
- FDA UNII
- 77 BK83A · FKR77BK83A
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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