Basic information
- CAS
26158-99-6- Standard SMILES
CCCCCSCC- InChIKey
SOGIWVXLDPPMMF-UHFFFAOYSA-N- Molecular formula
- C7H16S
- Average molar mass
- 132.27 g/mol
- Monoisotopic mass
- 132.09727168
Names & identifiers
- Preferred name
- Pentane, 1-(ethylthio)-
- IUPAC
- 1-ethylsulfanylpentane
- English name
- ethyl pentyl sulfide
- Molecular formula
- C7H16S
- Molecular weight
- 132.27
Names & synonyms
Pentane, 1-(ethylthio)-1-(Ethylsulfanyl)pentaneSulfide, ethyl pentylEthyl pentyl sulfide3-ThiaoctanePentyl ethyl sulfiden-Amyl ethyl sulfide26158-99-6DTXSID20334293RefChem:368094DTXCID30285383SOGIWVXLDPPMMF-UHFFFAOYSA-N
Show more names
1-(Ethylthio)pentane
1-ethylsulfanylpentanen-Pentyl ethyl sulphide24487-57-8SCHEMBL201543SCHEMBL201544SCHEMBL291330SCHEMBL291331SCHEMBL3286864
Database identifiers
- CAS
26158-99-6- PubChem CID
- 520245
- DTXSID
DTXSID20334293- Nikkaji
- J108.719C
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 35.4
Physicochemical properties
- Melting point
- -66.8 °C · -66.8°C (estimate)
- Boiling point
- 154.25 °C · 154.25°C (estimate)
- Density
- 0.839 · 0.8390
- refractive index
- 1.4333 · 1.4333 (estimate)
- Henry's Law Constant
- 1 · 1.0×10-3 mol/(m3Pa) at 25℃, Yaws et al. (2003)
- LogP
- 3.525 · 3.525 (est)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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