4,7-Epoxyisoindoline, hexahydro-2-(dimethylthiocarbamoyl)-
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Basic information
- CAS
73986-89-7- Standard SMILES
CN(C)C(=S)N1CC2C3CCC(O3)C2C1- InChIKey
QMCICVXIQRDSTA-UHFFFAOYSA-N- Molecular formula
- C11H18N2OS
- Average molar mass
- 226.34 g/mol
- Monoisotopic mass
- 226.11398438
Names & identifiers
- Preferred name
- 4,7-Epoxyisoindoline, hexahydro-2-(dimethylthiocarbamoyl)-
- IUPAC
- N,N-dimethyl-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carbothioamide
- English name
- Hexahydro-2-(dimethylthiocarbamoyl)-4,7-epoxyisoindoline
- Molecular weight
- 0
Names & synonyms
73986-89-74,7-Epoxyisoindoline, hexahydro-2-(dimethylthiocarbamoyl)-RefChem:1069566NSC1961542-(Dimethylthioformamido)-4,7-endoxohexahydro-isoindoline2-(Dimethylamidothiocarbonyl)hexahydro-4,7-epoxyisoindolineDTXSID20995242NSC-196154N,N-dimethyloctahydro-2H-4,7-epoxyisoindole-2-carbothioamideHexahydro-2-(dimethylthiocarbamoyl)-4,7-epoxyisoindoline
Database identifiers
- CAS
73986-89-7- PubChem CID
- 304353
- DTXSID
DTXSID20995242- Nikkaji
- J67.320J
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 47.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 276
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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