3-(Allylthio)propanal
Basic information
- CAS
22842-59-7- Standard SMILES
C=CCSCCC=O- InChIKey
AXZSEPBLUIEYQI-UHFFFAOYSA-N- Molecular formula
- C6H10OS
- Average molar mass
- 130.21 g/mol
- Monoisotopic mass
- 130.04523611
Names & identifiers
- Preferred name
- 3-(Allylthio)propanal
- IUPAC
- 3-prop-2-enylsulfanylpropanal
Names & synonyms
3-(allylthio)propanal22842-59-7DTXSID00301963RefChem:275053DTXCID80253097AXZSEPBLUIEYQI-UHFFFAOYSA-NNSC147629SCHEMBL88235SCHEMBL9797506NSC-1476293-[(Prop-2-en-1-yl)sulfanyl]propanal
Database identifiers
- CAS
22842-59-7- PubChem CID
- 287573
- DTXSID
DTXSID00301963
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 70.9
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Related reactions
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Compound notes
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