Basic information
- CAS
67838-86-2- Standard SMILES
O=C1CC(C2(c3ccc4c(c3)OCO4)SCCCS2)CO1- InChIKey
OWUSQWFRFADSFN-UHFFFAOYSA-N- Molecular formula
- C15H16O4S2
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.04900133
Names & identifiers
- Preferred name
- 4-(2-(1,3-Benzodioxol-5-yl)-1,3-dithian-2-yl)dihydro-2(3H)-furanone
- IUPAC
- 4-[2-(1,3-benzodioxol-5-yl)-1,3-dithian-2-yl]oxolan-2-one
Names & synonyms
59311-29-467838-86-24-(2-(1,3-Benzodioxol-5-yl)-1,3-dithian-2-yl)dihydro-2(3H)-furanone2(3H)-Furanone, 4-[2-(1,3-benzodioxol-5-yl)-1,3-dithian-2-yl]dihydro-NSC283808NSC 2838084-(2-(benzo[d][1,3]dioxol-5-yl)-1,3-dithian-2-yl)dihydrofuran-2(3H)-one4-[2-(1,3-benzodioxol-5-yl)-1,3-dithian-2-yl]oxolan-2-one4-[2-(1,3-benzodioxol-5-yl)-1,3-dithian-2-yl]tetrahydrofuran-2-oneMFCD321960824-[2-(2H-1,3-BENZODIOXOL-5-YL)-1,3-DITHIAN-2-YL]OXOLAN-2-ONENSC-283808
Show more names
WS-01011DS-014448D95519
Database identifiers
- CAS
67838-86-2- PubChem CID
- 323455
- Nikkaji
- J2.201.542G
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 95.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 410
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…