20-thiophen-2-ylicosane-1-thiol

C24H44S2 — CID 15444594

IUPAC20-thiophen-2-ylicosane-1-thiol
SMILESSCCCCCCCCCCCCCCCCCCCCc1cccs1
InChIInChI=1S/C24H44S2/c25-22-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-20-24-21-19-23-26-24/h19,21,23,25H,1-18,20,22H2
InChIKeyMIIJMMHQSRAMJG-UHFFFAOYSA-N
MW396.75 g/mol
LogP9.24
Rot. Bonds20

About 20-thiophen-2-ylicosane-1-thiol

20-thiophen-2-ylicosane-1-thiol (PubChem CID 15444594) has the molecular formula C24H44S2 and a molecular weight of 396.75 g/mol. Its IUPAC name is 20-thiophen-2-ylicosane-1-thiol.

Molecular Properties

Compound Name20-thiophen-2-ylicosane-1-thiol
PubChem CID15444594
Molecular FormulaC24H44S2
Molecular Weight396.75 g/mol
Exact Mass396.29
IUPAC Name20-thiophen-2-ylicosane-1-thiol
SMILESSCCCCCCCCCCCCCCCCCCCCc1cccs1
InChIInChI=1S/C24H44S2/c25-22-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-20-24-21-19-23-26-24/h19,21,23,25H,1-18,20,22H2
InChIKeyMIIJMMHQSRAMJG-UHFFFAOYSA-N
XLogP9.24
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.75
LogP ≤ 59.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

10-thiophen-2-yldecan-1-ol
CID 22992199
2-(5-chloropentyl)thiophene
CID 4912993
10-thiophen-2-yldecan-1-amine
CID 22115195
methane;2-undecylthiophene
CID 175504380
2-(4-fluorobutyl)thiophene
CID 67851736
N,N-dimethyl-4-thiophen-2-ylbutan-1-amine
CID 67930635
ethane;2-pentylthiophene
CID 143883800
2-(8-methoxyoctyl)thiophene
CID 139537837
3-thiophen-2-ylpropan-1-ol
CID 13109866
trimethoxy(5-thiophen-2-ylpentyl)silane
CID 139649685
6-thiophen-2-ylhexanamide
CID 137320292
9-[cyclopropyl(thiophen-2-ylmethyl)amino]nonane-1-thiol
CID 105344206

Frequently Asked Questions

What is the IUPAC name of 20-thiophen-2-ylicosane-1-thiol?
The IUPAC name of 20-thiophen-2-ylicosane-1-thiol (CID 15444594) is 20-thiophen-2-ylicosane-1-thiol.
What is the SMILES notation for 20-thiophen-2-ylicosane-1-thiol?
The canonical SMILES for 20-thiophen-2-ylicosane-1-thiol is SCCCCCCCCCCCCCCCCCCCCc1cccs1.
What is the InChIKey of 20-thiophen-2-ylicosane-1-thiol?
The InChIKey is MIIJMMHQSRAMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44S2/c25-22-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-20-24-21-19-23-26-24/h19,21,23,25H,1-18,20,22H2.
What are the key properties of 20-thiophen-2-ylicosane-1-thiol?
20-thiophen-2-ylicosane-1-thiol has a molecular weight of 396.75 g/mol, XLogP of 9.24, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 20-thiophen-2-ylicosane-1-thiol is sourced from PubChem (CID 15444594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).