Basic information
- Standard SMILES
CCCCCCCCCSCC#CCSCC(=O)OC- InChIKey
CISRLHTXSLGQHM-UHFFFAOYSA-N- Molecular formula
- C16H28O2S2
- Average molar mass
- 316.5 g/mol
Names & identifiers
- Preferred name
- Methyl 3,8-dithia-5-heptadecynoate
- IUPAC
- methyl 2-(4-nonylsulfanylbut-2-ynylsulfanyl)acetate
Names & synonyms
SCHEMBL7135950CISRLHTXSLGQHM-UHFFFAOYSA-Nmethyl 3,8-dithia-5-heptadecynoate
Database identifiers
- PubChem CID
- 86758809
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 76.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 291
Related reactions
2 records
Compound notes
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