3-(9'-Mercaptononylthio)-1,1,1,-trifluoropropan-2-one
Basic information
- CAS
154301-46-9- Standard SMILES
O=C(CSCCCCCCCCCS)C(F)(F)F- InChIKey
VGYNCMOKRPXEGF-UHFFFAOYSA-N- Molecular formula
- C12H21F3OS2
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.09859212
Overview
structure given in first source
Names & identifiers
- Preferred name
- 3-(9'-Mercaptononylthio)-1,1,1,-trifluoropropan-2-one
- IUPAC
- 1,1,1-trifluoro-3-(9-sulfanylnonylsulfanyl)propan-2-one
- English name
- 3-(9'-mercaptononylthio)-1,1,1,-trifluoropropan-2-one
- Molecular formula
- C12H21F3OS2
- Molecular weight
- 302.42
Names & synonyms
MNTFP154301-46-93-(9'-Mercaptononylthio)-1,1,1,-trifluoropropan-2-oneDTXSID60165583RefChem:92528DTXCID20880741,1,1-TRIFLUORO-3-[(9-SULFANYLNONYL)SULFANYL]PROPAN-2-ONE2-Propanone, 1,1,1-trifluoro-3-[(9-mercaptononyl)thio]-
Database identifiers
- CAS
154301-46-9- PubChem CID
- 197646
- DTXSID
DTXSID60165583
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 220
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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