6-Methyl-1,4-dithiaspiro(4.5)decane
Basic information
- CAS
31404-11-2- Standard SMILES
CC1CCCCC12SCCS2- InChIKey
MVZUYLHBMPBJRF-UHFFFAOYSA-N- Molecular formula
- C9H16S2
- Average molar mass
- 188.4 g/mol
- Monoisotopic mass
- 188.06934286
Names & identifiers
- Preferred name
- 6-Methyl-1,4-dithiaspiro(4.5)decane
- IUPAC
- 6-methyl-1,4-dithiaspiro[4.5]decane
Names & synonyms
6-Methyl-1,4-dithiaspiro(4.5)decane31404-11-21,4-DITHIASPIRO(4.5)DECANE, 6-METHYL-6-Methyl-1,4-dithiaspiro[4.5]decaneDTXSID60953442RefChem:1074048DTXCID701381494BRN 2573078SCHEMBL12640052
Database identifiers
- CAS
31404-11-2- PubChem CID
- 35791
- DTXSID
DTXSID60953442- Nikkaji
- J87.574K
Properties
Computed structural properties
- XLogP
- 3.5
- 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
- 138
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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