1-(2-Hydroxyethylthio)-2-(vinylthio)ethane
Basic information
- CAS
114811-37-9- Standard SMILES
C=CSCCSCCO- InChIKey
AOIHPKYLXCJSNB-UHFFFAOYSA-N- Molecular formula
- C6H12OS2
- Average molar mass
- 164.3 g/mol
- Monoisotopic mass
- 164.03295735
Names & identifiers
- Preferred name
- 1-(2-Hydroxyethylthio)-2-(vinylthio)ethane
- IUPAC
- 2-(2-ethenylsulfanylethylsulfanyl)ethanol
Names & synonyms
1-(2-Hydroxyethylthio)-2-(vinylthio)ethane114811-37-9Ethanol, 2-[[2-(ethenylthio)ethyl]thio]-2-{[2-(ethenylsulfanyl)ethyl]sulfanyl}ethan-1-olDTXSID10335976AOIHPKYLXCJSNB-UHFFFAOYSA-N2-([2-(Vinylsulfanyl)ethyl]sulfanyl)ethanol2-([2-(Vinylsulfanyl)ethyl]sulfanyl)ethanol #
Database identifiers
- CAS
114811-37-9- PubChem CID
- 528230
- DTXSID
DTXSID10335976- Nikkaji
- J522.331H
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 66.1
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Compound notes
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