1-(2-(Decylthio)ethyl)-2-pyrrolidinone
Basic information
- CAS
113855-10-0- Standard SMILES
CCCCCCCCCCSCCN1CCCC1=O- InChIKey
VDPRSOCKHVPZRS-UHFFFAOYSA-N- Molecular formula
- C16H31NOS
- Average molar mass
- 285.5 g/mol
- Monoisotopic mass
- 285.21263579
Overview
used as a penetration enhancer for topical applications
Names & identifiers
- Preferred name
- 1-(2-(Decylthio)ethyl)-2-pyrrolidinone
- IUPAC
- 1-(2-decylsulfanylethyl)pyrrolidin-2-one
- English name
- 1-(2-(decylthio)ethyl)azacyclopentane-2-one
- Molecular formula
- C16H31NOS
- Molecular weight
- 285.49
Names & synonyms
Pirotiodecane113855-10-0HPE-1011-(2-(decylthio)ethyl)azacyclopentane-2-one9IDR04C5R71-(2-(Decylthio)ethyl)-2-pyrrolidinone2-Pyrrolidinone, 1-(2-(decylthio)ethyl)-DTXSID80150592RefChem:74040DTXCID0073083Hpe 1011-(2-(decylthio)ethyl)azacyclopentan-2-one
Show more names
2-Pyrrolidinone, 1-[2-(decylthio)ethyl]-1-(2-decylsulfanylethyl)pyrrolidin-2-one
1-[2-(decylthio)ethyl]azacyclopentan-2-oneUNII-9IDR04C5R71-[2-(DECYLSULFANYL)ETHYL]PYRROLIDIN-2-ONE1-(2-(Decylthio)ethyl)pyrrolidin-2-oneSCHEMBL4633701-(2-DECYLTHIOETHYL)PYRROLIDIN-2-ONEQ27272599
Database identifiers
- CAS
113855-10-0- PubChem CID
- 124240
- DTXSID
DTXSID80150592- UNII
- 9IDR04C5R7
- Nikkaji
- J486.334H
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- FDA UNII
- 9 IDR04C5R7 · 9IDR04C5R7
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…