Basic information
- CAS
640293-45-4- Standard SMILES
CCC#CCCC1=C(CC)SS1(=O)=O- InChIKey
NSFVSYMGKXNSAG-UHFFFAOYSA-N- Molecular formula
- C10H14O2S2
- Average molar mass
- 230.4 g/mol
- Monoisotopic mass
- 230.04352203
Names & identifiers
- Preferred name
- 3-Ethyl-4-hex-3-ynyldithiete 1,1-dioxide
- IUPAC
- 3-ethyl-4-hex-3-ynyldithiete 1,1-dioxide
- English name
- 1,2-Dithiete,3-ethyl-4-(3-hexynyl)-,1,1-dioxide(9CI)
- Molecular formula
- C10H14O2S2
- Molecular weight
- 230.35
Names & synonyms
1,2-Dithiete, 3-ethyl-4-(3-hexyn-1-yl)-, 1,1-dioxide1,2-Dithiete,3-ethyl-4-(3-hexynyl)-,1,1-dioxide(9CI)
Database identifiers
- CAS
640293-45-4- PubChem CID
- 45095773
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 398
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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