Basic information
- CAS
68931-52-2- Standard SMILES
CCC#CCC1C(=O)CCC1CC(=O)SC(C)(C)C- InChIKey
IJMILRJXBDCLQT-UHFFFAOYSA-N- Molecular formula
- C16H24O2S
- Average molar mass
- 280.4 g/mol
- Monoisotopic mass
- 280.14970118
Names & identifiers
- Preferred name
- AG-G-67236
- IUPAC
- S-tert-butyl 2-(3-oxo-2-pent-2-ynylcyclopentyl)ethanethioate
- English name
- (3-Oxo-2-pent-2-ynylcyclopentyl)thioacetic acid, S-t-butyl ester
- Molecular weight
- 0
Names & synonyms
68931-52-2DTXSID50346667AG-G-67236RefChem:317402DTXCID80297739IJMILRJXBDCLQT-UHFFFAOYSA-N(3-Oxo-2-pent-2-ynylcyclopentyl)thioacetic acid, S-t-butyl esterS-(tert-Butyl) [3-oxo-2-(2-pentynyl)cyclopentyl]ethanethioate #S-tert-Butyl [3-oxo-2-(pent-2-yn-1-yl)cyclopentyl]ethanethioate
Database identifiers
- CAS
68931-52-2- PubChem CID
- 613894
- DTXSID
DTXSID50346667
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 405
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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