Basic information
- CAS
73987-23-2- Standard SMILES
O=C1C2C3CCC(O3)C2C(=O)N1CCOP1SCCS1- InChIKey
DITQWAVAGVBDFP-UHFFFAOYSA-N- Molecular formula
- C12H16NO4PS2
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.02583734
Names & identifiers
- Preferred name
- 1,3,2-Dithiaphospholane, 2-(2-(3,6-epoxyhexahydrophthalimido)ethoxy)-
- IUPAC
- 2-[2-(1,3,2-dithiaphospholan-2-yloxy)ethyl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
- English name
- N-[2-(1,3,2-Dithiaphospholan-2-yloxy)ethyl]-1,4-epoxycyclohexane-2,3-dicarbimide
- Molecular formula
- C12H16NO4PS2
- Molecular weight
- 333.363501
Names & synonyms
73987-23-21,3,2-Dithiaphospholane, 2-(2-(3,6-epoxyhexahydrophthalimido)ethoxy)-2-(beta-(3,6-Endoxohexahydrophthalimidyl)ethoxy)-1,3,2-dithiaphospholaneRefChem:216668DTXSID309952582-{2-[(1,3,2-Dithiaphospholan-2-yl)oxy]ethyl}hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dioneN-[2-(1,3,2-Dithiaphospholan-2-yloxy)ethyl]-1,4-epoxycyclohexane-2,3-dicarbimide
Database identifiers
- CAS
73987-23-2- PubChem CID
- 3057239
- DTXSID
DTXSID30995258- Nikkaji
- J87.573B
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 417
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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