(2S,3S)-2-Ethenyl-3-ethyl-1-[(R)-2-methylpropane-2-sulfinyl]aziridine
Basic information
- CAS
736947-20-9- Standard SMILES
C=C[C@H]1[C@H](CC)N1[S@](=O)C(C)(C)C- InChIKey
WYYLBHCQSBTESX-DZRWIUDYSA-N- Molecular formula
- C10H19NOS
- Average molar mass
- 201.33 g/mol
- Monoisotopic mass
- 201.1187354
Names & identifiers
- Preferred name
- (2S,3S)-2-Ethenyl-3-ethyl-1-[(R)-2-methylpropane-2-sulfinyl]aziridine
- IUPAC
- (2S,3S)-1-[(R)-tert-butylsulfinyl]-2-ethenyl-3-ethylaziridine
- English name
- Aziridine, 1-[(R)-(1,1-dimethylethyl)sulfinyl]-2-ethenyl-3-ethyl-, (2S,3S)- (9CI)
- Molecular formula
- C10H19NOS
- Molecular weight
- 201.33
Names & synonyms
736947-20-9(2S,3S)-2-Ethenyl-3-ethyl-1-[(R)-2-methylpropane-2-sulfinyl]aziridineDTXSID80703628Aziridine, 1-[(R)-(1,1-dimethylethyl)sulfinyl]-2-ethenyl-3-ethyl-, (2S,3S)-Aziridine, 1-[(R)-(1,1-dimethylethyl)sulfinyl]-2-ethenyl-3-ethyl-, (2S,3S)- (9CI)
Database identifiers
- CAS
736947-20-9- PubChem CID
- 53471407
- DTXSID
DTXSID80703628
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 39.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Comptox DTXSID
- 80703628 · DTXSID80703628
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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