2-Butyne, 1,4-bis(ethylthio)-
Basic information
- CAS
13597-11-0- Standard SMILES
CCSCC#CCSCC- InChIKey
QHJHZAAOWXGVRD-UHFFFAOYSA-N- Molecular formula
- C8H14S2
- Average molar mass
- 174.3 g/mol
- Monoisotopic mass
- 174.05369279
Names & identifiers
- Preferred name
- 2-Butyne, 1,4-bis(ethylthio)-
- IUPAC
- 1,4-bis(ethylsulfanyl)but-2-yne
- English name
- 1,4-bis(ethylsulfanyl)but-2-yne
- Molecular formula
- C8H14S2
- Molecular weight
- 174.33
Names & synonyms
2-Butyne, 1,4-bis(ethylthio)-1,4-Bis(ethylthio)-2-butyne13597-11-0BRN 1902365DTXSID20159605RefChem:86061DTXCID8082096QHJHZAAOWXGVRD-UHFFFAOYSA-N1,4-bis(ethylsulfanyl)but-2-yne1,4-Bis(ethylsulfanyl)-2-butyne #
Database identifiers
- CAS
13597-11-0- PubChem CID
- 202964
- DTXSID
DTXSID20159605- Nikkaji
- J42.750K
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 106
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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