1-(3,3-Dimethyl-2-oxobutyl)thiolan-1-ium bromide

HCID 22564578CAS 303177-16-4

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

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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