butyl(triphenyl)boranuide;ethoxy-methyl-phenylsulfanium

C31H37BOS — CID 19047913

IUPACbutyl(triphenyl)boranuide;ethoxy-methyl-phenylsulfanium
SMILESCCCC[B-](c1ccccc1)(c1ccccc1)c1ccccc1.CCO[S+](C)c1ccccc1
InChIInChI=1S/C22H24B.C9H13OS/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;1-3-10-11(2)9-7-5-4-6-8-9/h4-18H,2-3,19H2,1H3;4-8H,3H2,1-2H3/q-1;+1
InChIKeyKSRJNQPYNCFVKE-UHFFFAOYSA-N
MW468.52 g/mol
LogP6.20
Rot. Bonds9

About butyl(triphenyl)boranuide;ethoxy-methyl-phenylsulfanium

butyl(triphenyl)boranuide;ethoxy-methyl-phenylsulfanium (PubChem CID 19047913) has the molecular formula C31H37BOS and a molecular weight of 468.52 g/mol. Its IUPAC name is butyl(triphenyl)boranuide;ethoxy-methyl-phenylsulfanium.

Molecular Properties

Compound Namebutyl(triphenyl)boranuide;ethoxy-methyl-phenylsulfanium
PubChem CID19047913
Molecular FormulaC31H37BOS
Molecular Weight468.52 g/mol
Exact Mass468.27
IUPAC Namebutyl(triphenyl)boranuide;ethoxy-methyl-phenylsulfanium
SMILESCCCC[B-](c1ccccc1)(c1ccccc1)c1ccccc1.CCO[S+](C)c1ccccc1
InChIInChI=1S/C22H24B.C9H13OS/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;1-3-10-11(2)9-7-5-4-6-8-9/h4-18H,2-3,19H2,1H3;4-8H,3H2,1-2H3/q-1;+1
InChIKeyKSRJNQPYNCFVKE-UHFFFAOYSA-N
XLogP6.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.52
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

lithium butyl(triphenyl)boranuide
CID 23668465
butyl-phenoxy-phenylsulfanium;butyl(triphenyl)boranuide
CID 19047905
benzyl(dimethyl)sulfanium;butyl(triphenyl)boranuide
CID 18982460
butyl(triphenyl)boranuide;diphenyliodanium
CID 10962913
butyl(triphenyl)boranuide;trifluoromethanesulfonic acid
CID 171925808
butyl(triphenyl)boranuide;2-hydroxyethyl(dimethyl)azanium
CID 140843246
butyl-tris(4-methylphenyl)boranuide
CID 18400281
(3-fluorophenyl)-hexyl-diphenylboranuide
CID 176748764
lithium butyl-tris(4-methoxyphenyl)boranuide
CID 139652579
butyl-tris(3-methylphenyl)boranuide
CID 139835830
butyl-tris(4-methoxyphenyl)boranuide;phenacyl(diphenyl)sulfanium
CID 139642196
bis(4-chlorophenyl)-[(4-cyanophenyl)methyl]sulfanium;butyl(triphenyl)boranuide
CID 18982362

Frequently Asked Questions

What is the IUPAC name of butyl(triphenyl)boranuide;ethoxy-methyl-phenylsulfanium?
The IUPAC name of butyl(triphenyl)boranuide;ethoxy-methyl-phenylsulfanium (CID 19047913) is butyl(triphenyl)boranuide;ethoxy-methyl-phenylsulfanium.
What is the SMILES notation for butyl(triphenyl)boranuide;ethoxy-methyl-phenylsulfanium?
The canonical SMILES for butyl(triphenyl)boranuide;ethoxy-methyl-phenylsulfanium is CCCC[B-](c1ccccc1)(c1ccccc1)c1ccccc1.CCO[S+](C)c1ccccc1.
What is the InChIKey of butyl(triphenyl)boranuide;ethoxy-methyl-phenylsulfanium?
The InChIKey is KSRJNQPYNCFVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24B.C9H13OS/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;1-3-10-11(2)9-7-5-4-6-8-9/h4-18H,2-3,19H2,1H3;4-8H,3H2,1-2H3/q-1;+1.
What are the key properties of butyl(triphenyl)boranuide;ethoxy-methyl-phenylsulfanium?
butyl(triphenyl)boranuide;ethoxy-methyl-phenylsulfanium has a molecular weight of 468.52 g/mol, XLogP of 6.20, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(triphenyl)boranuide;ethoxy-methyl-phenylsulfanium is sourced from PubChem (CID 19047913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).