Basic information
- Standard SMILES
CC(C)(C)C(=O)C[S+]1CCCC1.[Br-]- InChIKey
LBEZTPIDVREMPI-UHFFFAOYSA-M- Molecular formula
- C10H19BrOS
- Average molar mass
- 267.23 g/mol
- Monoisotopic mass
- 266.03399833
Names & identifiers
- Preferred name
- 1-(3,3-Dimethyl-2-oxobutyl)thiolan-1-ium bromide
- IUPAC
- 3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one bromide
- English name
- 3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one bromide
- Molecular formula
- C10H19BrOS
- Molecular weight
- 267.23
Names & synonyms
303177-16-41-(3,3-dimethyl-2-oxobutyl)tetrahydro-1H-thiophen-1-ium bromide1-(3,3-Dimethyl-2-oxobutyl)thiolan-1-ium bromideSCHEMBL2112043DTXSID80626505LBEZTPIDVREMPI-UHFFFAOYSA-MAKOS003677459SY3574522-oxo-3,3-dimethylbutyl-thiacyclopentanium bromide2-oxo-3,3,-dimethylbutyl-thiacyclopentanium bromide2-oxo-3,3-dimethylbutyltetrahydrothiophenium bromide1-(3,3-dimethyl-2oxobutyl)thiacyclopentanium bromide
Show more names
3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one bromide
1-(3,3-dimethyl-2-oxobutyl)tetrahydrothiophenium bromideThiophenium, 1-(3,3-dimethyl-2-oxobutyl)tetrahydro-, bromide (1:1)
Database identifiers
- CAS
303177-16-4- PubChem CID
- 22564578
- DTXSID
DTXSID80626505
Properties
Computed structural properties
- Topological polar surface area
- 18.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 163
Chemistry & industry
Suppliers1 total
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
Related reactions
9 records
Linked notes
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