1,3-Dithiolan-4-one, 5,5-dimethyl-2-(1,1-(dimethylethyl)imino)-, O-((methylamino)carbonyl)oxime
Basic information
- CAS
71108-08-2- Standard SMILES
CNC(=O)O/N=C1/SC(=NC(C)(C)C)SC1(C)C- InChIKey
PWCSLGMJTZUQTA-KKOQITJVSA-N- Molecular formula
- C11H19N3O2S2
- Average molar mass
- 289.4 g/mol
- Monoisotopic mass
- 289.0918692
Names & identifiers
- Preferred name
- 1,3-Dithiolan-4-one, 5,5-dimethyl-2-(1,1-(dimethylethyl)imino)-, O-((methylamino)carbonyl)oxime
- IUPAC
- [(E)-(2-tert-butylimino-5,5-dimethyl-1,3-dithiolan-4-ylidene)amino] N-methylcarbamate
Names & synonyms
71108-08-21,3-Dithiolan-4-one, 5,5-dimethyl-2-(1,1-(dimethylethyl)imino)-, O-((methylamino)carbonyl)oximeDTXSID9010319505,5-Dimethyl-2-(1,1-(dimethylethyl)imino)-1,3-dithiolan-4-one O-((methylamino)carbonyl)oxime
Database identifiers
- CAS
71108-08-2- PubChem CID
- 9588166
- DTXSID
DTXSID901031950
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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