CC(C)(C)C(=O)C[S+]1CCCC1.[Br-]
CAS: 303177-16-4
Name: 3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one bromide
SMILES: CC(C)(C)C(=O)C[S+]1CCCC1.[Br-]

Molecular Processing

Molecular formula
C10H19BrOS
Molecular weight
267.23
Exact mass
266.034
XLogP
-0.98
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
2
Fraction Csp3
0.9
Molar refractivity
55.66

Supplementary Information

InChIKey: LBEZTPIDVREMPI-UHFFFAOYSA-M
Synonyme
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 bromide1-(3,3-dimethyl-2-oxobutyl)tetrahydrothiophenium bromideThiophenium, 1-(3,3-dimethyl-2-oxobutyl)tetrahydro-, bromide (1:1)
Quelle anzeigen →
An 9 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→