Butane, 1-(methylthio)-4-(propylthio)-
Basic information
- CAS
118972-43-3- Standard SMILES
CCCSCCCCSC- InChIKey
IGQQSDUCZZSANE-UHFFFAOYSA-N- Molecular formula
- C8H18S2
- Average molar mass
- 178.4 g/mol
- Monoisotopic mass
- 178.08499292
Names & identifiers
- Preferred name
- Butane, 1-(methylthio)-4-(propylthio)-
- IUPAC
- 1-methylsulfanyl-4-propylsulfanylbutane
Names & synonyms
118972-43-3Butane, 1-(methylthio)-4-(propylthio)-1-Methylthio-4-propylthiobutane1-(methylsulfanyl)-4-(propylsulfanyl)butaneSCHEMBL19773530DTXSID90152269
Database identifiers
- CAS
118972-43-3- PubChem CID
- 189595
- DTXSID
DTXSID90152269
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 55.2
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Compound notes
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