butoxy(triphenyl)-λ4-sulfane

C22H24OS — CID 174518511

IUPACbutoxy(triphenyl)-λ4-sulfane
SMILESCCCCOS(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24OS/c1-2-3-19-23-24(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,2-3,19H2,1H3
InChIKeyGBTAWAQIISSPOO-UHFFFAOYSA-N
MW336.50 g/mol
LogP6.70
Rot. Bonds7

About butoxy(triphenyl)-λ4-sulfane

butoxy(triphenyl)-λ4-sulfane (PubChem CID 174518511) has the molecular formula C22H24OS and a molecular weight of 336.50 g/mol. Its IUPAC name is butoxy(triphenyl)-λ4-sulfane.

Molecular Properties

Compound Namebutoxy(triphenyl)-λ4-sulfane
PubChem CID174518511
Molecular FormulaC22H24OS
Molecular Weight336.50 g/mol
Exact Mass336.15
IUPAC Namebutoxy(triphenyl)-λ4-sulfane
SMILESCCCCOS(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24OS/c1-2-3-19-23-24(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,2-3,19H2,1H3
InChIKeyGBTAWAQIISSPOO-UHFFFAOYSA-N
XLogP6.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.50
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butoxy(triphenyl)-λ4-sulfane?
The IUPAC name of butoxy(triphenyl)-λ4-sulfane (CID 174518511) is butoxy(triphenyl)-λ4-sulfane.
What is the SMILES notation for butoxy(triphenyl)-λ4-sulfane?
The canonical SMILES for butoxy(triphenyl)-λ4-sulfane is CCCCOS(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of butoxy(triphenyl)-λ4-sulfane?
The InChIKey is GBTAWAQIISSPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24OS/c1-2-3-19-23-24(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,2-3,19H2,1H3.
What are the key properties of butoxy(triphenyl)-λ4-sulfane?
butoxy(triphenyl)-λ4-sulfane has a molecular weight of 336.50 g/mol, XLogP of 6.70, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy(triphenyl)-λ4-sulfane is sourced from PubChem (CID 174518511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).