Basic information
- Standard SMILES
C#CCSCCC(=O)O- InChIKey
MSMSWCUHZFAFBB-UHFFFAOYSA-N- Molecular formula
- C6H8O2S
- Average molar mass
- 144.19 g/mol
- Monoisotopic mass
- 144.02450067
Names & identifiers
- Preferred name
- 3-(Prop-2-ynylthio)propionic acid
- IUPAC
- 3-prop-2-ynylsulfanylpropanoic acid
Names & synonyms
SCHEMBL9263707MSMSWCUHZFAFBB-UHFFFAOYSA-N3-(prop-2-ynylthio)propionic acid3-(Prop-2-ynylthio) propionic acidAKOS000168032
Database identifiers
- PubChem CID
- 19373376
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 133
Related reactions
7 records
Compound notes
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