cyclobutyl(diphenyl)sulfanium

C16H17S+ — CID 14202582

IUPACcyclobutyl(diphenyl)sulfanium
SMILESc1ccc([S+](c2ccccc2)C2CCC2)cc1
InChIInChI=1S/C16H17S/c1-3-8-14(9-4-1)17(16-12-7-13-16)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13H2/q+1
InChIKeyAIHBZFNWDUWIRE-UHFFFAOYSA-N
MW241.38 g/mol
LogP4.28
Rot. Bonds3

About cyclobutyl(diphenyl)sulfanium

cyclobutyl(diphenyl)sulfanium (PubChem CID 14202582) has the molecular formula C16H17S+ and a molecular weight of 241.38 g/mol. Its IUPAC name is cyclobutyl(diphenyl)sulfanium.

Molecular Properties

Compound Namecyclobutyl(diphenyl)sulfanium
PubChem CID14202582
Molecular FormulaC16H17S+
Molecular Weight241.38 g/mol
Exact Mass241.10
IUPAC Namecyclobutyl(diphenyl)sulfanium
SMILESc1ccc([S+](c2ccccc2)C2CCC2)cc1
InChIInChI=1S/C16H17S/c1-3-8-14(9-4-1)17(16-12-7-13-16)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13H2/q+1
InChIKeyAIHBZFNWDUWIRE-UHFFFAOYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

cyclopropyl-(4-cyclopropylsulfanylphenyl)-phenylsulfanium perchlorate
CID 10692290
cyclopentyl-methyl-diphenylsilane
CID 123376620
ethylbenzene;methylcyclobutane
CID 176989756
cyclopentyl-dimethyl-phenylsilane
CID 59962320
(2-methylcyclopentyl)benzene
CID 12600454
1-cyclobutylethylbenzene
CID 22024745
N-cyclobutyl-1-phenylpiperidin-4-amine
CID 103901830
bis[4-(4-acetylphenyl)sulfanylphenyl]-(4-phenylsulfanylcyclohexyl)sulfanium
CID 153435583
1-[2-(1-diphenylphosphanylethyl)cyclopentyl]ethyl-diphenylphosphane
CID 23403232
CID 174523645
CID 174523645
(7R,9S)-2,8-diphenyl-2,8-diboratricyclo[7.3.0.03,7]dodecane
CID 140958135
(2S,6S)-2,6-diphenylthiane
CID 7065629

Frequently Asked Questions

What is the IUPAC name of cyclobutyl(diphenyl)sulfanium?
The IUPAC name of cyclobutyl(diphenyl)sulfanium (CID 14202582) is cyclobutyl(diphenyl)sulfanium.
What is the SMILES notation for cyclobutyl(diphenyl)sulfanium?
The canonical SMILES for cyclobutyl(diphenyl)sulfanium is c1ccc([S+](c2ccccc2)C2CCC2)cc1.
What is the InChIKey of cyclobutyl(diphenyl)sulfanium?
The InChIKey is AIHBZFNWDUWIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17S/c1-3-8-14(9-4-1)17(16-12-7-13-16)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13H2/q+1.
What are the key properties of cyclobutyl(diphenyl)sulfanium?
cyclobutyl(diphenyl)sulfanium has a molecular weight of 241.38 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl(diphenyl)sulfanium is sourced from PubChem (CID 14202582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).