Basic information
- CAS
184-32-7- Standard SMILES
C1CCCC2(CC1)SCCS2- InChIKey
CBZSMDMKLWKHTD-UHFFFAOYSA-N- Molecular formula
- C9H16S2
- Average molar mass
- 188.4 g/mol
- Monoisotopic mass
- 188.06934286
Names & identifiers
- Preferred name
- 1,4-Dithiaspiro(4.6)undecane
- IUPAC
- 1,4-dithiaspiro[4.6]undecane
- English name
- Cycloheptanone ethane-1,2-diyl dithioacetal
- Molecular weight
- 0
Names & synonyms
1,4-DITHIASPIRO(4.6)UNDECANE1,4-dithiaspiro[4.6]undecane184-32-7DTXSID30171530RefChem:1053326DTXCID0094021BRN 1305252Cycloheptanone ethane-1,2-diyl dithioacetalSCHEMBL22482672CBZSMDMKLWKHTD-UHFFFAOYSA-InChI=1/C9H16S2/c1-2-4-6-9(5-3-1)10-7-8-11-9/h1-8H2
Database identifiers
- CAS
184-32-7- PubChem CID
- 9099
- DTXSID
DTXSID30171530- Nikkaji
- J87.579A
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 118
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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