6-(triphenyl-λ4-sulfanyl)hexan-1-ol

C24H28OS — CID 67326227

IUPAC6-(triphenyl-λ4-sulfanyl)hexan-1-ol
SMILESOCCCCCCS(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H28OS/c25-20-12-1-2-13-21-26(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-11,14-19,25H,1-2,12-13,20-21H2
InChIKeyYXWOBFJVGZIKFN-UHFFFAOYSA-N
MW364.55 g/mol
LogP6.52
Rot. Bonds9

About 6-(triphenyl-λ4-sulfanyl)hexan-1-ol

6-(triphenyl-λ4-sulfanyl)hexan-1-ol (PubChem CID 67326227) has the molecular formula C24H28OS and a molecular weight of 364.55 g/mol. Its IUPAC name is 6-(triphenyl-λ4-sulfanyl)hexan-1-ol.

Molecular Properties

Compound Name6-(triphenyl-λ4-sulfanyl)hexan-1-ol
PubChem CID67326227
Molecular FormulaC24H28OS
Molecular Weight364.55 g/mol
Exact Mass364.19
IUPAC Name6-(triphenyl-λ4-sulfanyl)hexan-1-ol
SMILESOCCCCCCS(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H28OS/c25-20-12-1-2-13-21-26(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-11,14-19,25H,1-2,12-13,20-21H2
InChIKeyYXWOBFJVGZIKFN-UHFFFAOYSA-N
XLogP6.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.55
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-(triphenyl-λ4-sulfanyl)hexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

((2-Hydroxy-3-(phenylsulfanyl)propyl)sulfanyl)benzene
CID 12671306
3-(Phenylsulfanyl)propan-1-ol
CID 5155841
4-Phenyl-4-(phenylsulfanyl)butan-1-ol
CID 283796
2-(Phenylsulfanyl)cyclohexanol
CID 278135
5-Phenylsulfanylpentan-1-ol
CID 346015
trans-2-(Phenylthio)cyclohexanol
CID 11805926
(s)-(+)-5-(Phenylthio)-2-pentanol
CID 10012926
5,5-Bis(phenylsulfanyl)pentan-1-ol
CID 10881270
3,3-Di(phenylthio)hexan-2-ol
CID 11067121
(Z)-2,3-bis(phenylsulfanyl)prop-2-en-1-ol
CID 11173397
(E)-5-phenylsulfanylpent-4-en-1-ol
CID 11275584
1,1-Bis(phenylsulfanyl)butan-2-ol
CID 12236118

Frequently Asked Questions

What is the IUPAC name of 6-(triphenyl-λ4-sulfanyl)hexan-1-ol?
The IUPAC name of 6-(triphenyl-λ4-sulfanyl)hexan-1-ol (CID 67326227) is 6-(triphenyl-λ4-sulfanyl)hexan-1-ol.
What is the SMILES notation for 6-(triphenyl-λ4-sulfanyl)hexan-1-ol?
The canonical SMILES for 6-(triphenyl-λ4-sulfanyl)hexan-1-ol is OCCCCCCS(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-(triphenyl-λ4-sulfanyl)hexan-1-ol?
The InChIKey is YXWOBFJVGZIKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28OS/c25-20-12-1-2-13-21-26(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-11,14-19,25H,1-2,12-13,20-21H2.
What are the key properties of 6-(triphenyl-λ4-sulfanyl)hexan-1-ol?
6-(triphenyl-λ4-sulfanyl)hexan-1-ol has a molecular weight of 364.55 g/mol, XLogP of 6.52, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(triphenyl-λ4-sulfanyl)hexan-1-ol is sourced from PubChem (CID 67326227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).