1-Propene, 3-(2-propynylthio)-
Basic information
- CAS
89027-60-1- Standard SMILES
C#CCSCC=C- InChIKey
PDTBDBRANSKXPV-UHFFFAOYSA-N- Molecular formula
- C6H8S
- Average molar mass
- 112.19 g/mol
- Monoisotopic mass
- 112.03467143
Names & identifiers
- Preferred name
- 1-Propene, 3-(2-propynylthio)-
- IUPAC
- 3-prop-2-ynylsulfanylprop-1-ene
Names & synonyms
89027-60-1Allyl(prop-2-yn-1-yl)sulfane4-thia-1-hepten-6-yneallyl propargyl sulfide1-Propene, 3-(2-propynylthio)-Allyl(2-propyn-1-yl)sulfaneCH.equiv.CCH2SCH2CH=CH2SCHEMBL2548735DTXSID60335108PDTBDBRANSKXPV-UHFFFAOYSA-NMFCD25968452SY357269
Show more names
3-[(Prop-2-yn-1-yl)sulfanyl]prop-1-ene
Database identifiers
- CAS
89027-60-1- PubChem CID
- 522912
- DTXSID
DTXSID60335108- Nikkaji
- J2.562.557I
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 85.6
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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