6-tritylsulfanylhexan-1-ol

C25H28OS — CID 2754586

IUPAC6-tritylsulfanylhexan-1-ol
SMILESOCCCCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28OS/c26-20-12-1-2-13-21-27-25(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-11,14-19,26H,1-2,12-13,20-21H2
InChIKeyKIVCMHJKLQHCCI-UHFFFAOYSA-N
MW376.57 g/mol
LogP6.26
Rot. Bonds10

About 6-tritylsulfanylhexan-1-ol

6-tritylsulfanylhexan-1-ol (PubChem CID 2754586) has the molecular formula C25H28OS and a molecular weight of 376.57 g/mol. Its IUPAC name is 6-tritylsulfanylhexan-1-ol.

Molecular Properties

Compound Name6-tritylsulfanylhexan-1-ol
PubChem CID2754586
Molecular FormulaC25H28OS
Molecular Weight376.57 g/mol
Exact Mass376.19
IUPAC Name6-tritylsulfanylhexan-1-ol
SMILESOCCCCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28OS/c26-20-12-1-2-13-21-27-25(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-11,14-19,26H,1-2,12-13,20-21H2
InChIKeyKIVCMHJKLQHCCI-UHFFFAOYSA-N
XLogP6.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.57
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-tritylsulfanylhexan-1-ol?
The IUPAC name of 6-tritylsulfanylhexan-1-ol (CID 2754586) is 6-tritylsulfanylhexan-1-ol.
What is the SMILES notation for 6-tritylsulfanylhexan-1-ol?
The canonical SMILES for 6-tritylsulfanylhexan-1-ol is OCCCCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-tritylsulfanylhexan-1-ol?
The InChIKey is KIVCMHJKLQHCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28OS/c26-20-12-1-2-13-21-27-25(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-11,14-19,26H,1-2,12-13,20-21H2.
What are the key properties of 6-tritylsulfanylhexan-1-ol?
6-tritylsulfanylhexan-1-ol has a molecular weight of 376.57 g/mol, XLogP of 6.26, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tritylsulfanylhexan-1-ol is sourced from PubChem (CID 2754586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).