Basic information
- CAS
18321-15-8- Standard SMILES
O=S1(=O)CCCCS1- InChIKey
QGRBLDWNIGDYOW-UHFFFAOYSA-N- Molecular formula
- C4H8O2S2
- Average molar mass
- 152.2 g/mol
- Monoisotopic mass
- 151.99657184
Names & identifiers
- Preferred name
- 1,2-Dithiane 1,1-dioxide
- IUPAC
- dithiane 1,1-dioxide
Names & synonyms
1,2-Dithiane 1,1-dioxidedithiane 1,1-dioxide18321-15-8NSC6271751,2-Dithiane, 1,1-dioxideX2C9BZ68EMNSC 62632UNII-X2C9BZ68EMNSC 627175NSC62632NSC-62632NSC-627175
Show more names
1,2-Dithiane-1,1-dioxideNCIOpen2_000129SCHEMBL44658131|E?,2-dithiane-1,1-dioneDTXSID40171400QGRBLDWNIGDYOW-UHFFFAOYSA-NO-DITHIANE, 1,1-DIOXIDE1lambda~6~,2-Dithiane-1,1-dione
Database identifiers
- CAS
18321-15-8- PubChem CID
- 247646
- DTXSID
DTXSID40171400- UNII
- X2C9BZ68EM
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 153
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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