Basic information
- CAS
43117-16-4- Standard SMILES
CC1CCCC12CSCCO2- InChIKey
HMOSFLVUJRDVQB-UHFFFAOYSA-N- Molecular formula
- C9H16OS
- Average molar mass
- 172.29 g/mol
- Monoisotopic mass
- 172.0921863
Names & identifiers
- Preferred name
- 1-Oxa-4-thiaspiro(4.5)decane, 10-methyl-
- IUPAC
- 4-methyl-6-oxa-9-thiaspiro[4.5]decane
Names & synonyms
BRN 549260710-Methyl-1-oxa-4-thiaspiro(4.5)decane1-OXA-4-THIASPIRO(4.5)DECANE, 10-METHYL-43117-16-4RefChem:232721DTXSID309629051-Methyl-6-oxa-9-thiaspiro[4.5]decane
Database identifiers
- CAS
43117-16-4- PubChem CID
- 39383
- DTXSID
DTXSID30962905
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 34.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 148
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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