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Basic information
- CAS
2323-13-9- Standard SMILES
CC1(C)CC(=O)CCS1- InChIKey
QAABZONQGGPNCG-UHFFFAOYSA-N- Molecular formula
- C7H12OS
- Average molar mass
- 144.24 g/mol
- Monoisotopic mass
- 144.060886
Names & identifiers
- Preferred name
- 2,2-Dimethyltetrahydro-4h-thiopyran-4-one
- IUPAC
- 2,2-dimethylthian-4-one
Names & synonyms
2323-13-92,2-dimethyltetrahydro-4h-thiopyran-4-oneDTXSID30301956RefChem:243624DTXCID602530902,2-dimethylthian-4-one2,2-Dimethyldihydro-2H-thiopyran-4(3H)-one2,2-Dimethyl-tetrahydro-thiopyran-4-one4H-Thiopyran-4-one, tetrahydro-2,2-dimethyl-MFCD193009242,2-dimethyltetrahydrothiopyran-4-oneNSC147619
Show more names
tetrahydro-2,2-dimethyl-4H-thiopyran-4-one4H-Thiopyran-4-one,tetrahydro-2,2-dimethyl-SCHEMBL620896NSC-147619SY5672974H-Thiopyran-4-one, tetrahydro-, 2,2-dimethyl-
Database identifiers
- CAS
2323-13-9- PubChem CID
- 287564
- DTXSID
DTXSID30301956
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 129
Related reactions
8 records
Compound notes
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