5-decylsulfanylthiophene-2-carbaldehyde

C15H24OS2 — CID 10469146

IUPAC5-decylsulfanylthiophene-2-carbaldehyde
SMILESCCCCCCCCCCSc1ccc(C=O)s1
InChIInChI=1S/C15H24OS2/c1-2-3-4-5-6-7-8-9-12-17-15-11-10-14(13-16)18-15/h10-11,13H,2-9,12H2,1H3
InChIKeyWWDXFTQIQSQCJK-UHFFFAOYSA-N
MW284.49 g/mol
LogP5.79
Rot. Bonds11

About 5-decylsulfanylthiophene-2-carbaldehyde

5-decylsulfanylthiophene-2-carbaldehyde (PubChem CID 10469146) has the molecular formula C15H24OS2 and a molecular weight of 284.49 g/mol. Its IUPAC name is 5-decylsulfanylthiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-decylsulfanylthiophene-2-carbaldehyde
PubChem CID10469146
Molecular FormulaC15H24OS2
Molecular Weight284.49 g/mol
Exact Mass284.13
IUPAC Name5-decylsulfanylthiophene-2-carbaldehyde
SMILESCCCCCCCCCCSc1ccc(C=O)s1
InChIInChI=1S/C15H24OS2/c1-2-3-4-5-6-7-8-9-12-17-15-11-10-14(13-16)18-15/h10-11,13H,2-9,12H2,1H3
InChIKeyWWDXFTQIQSQCJK-UHFFFAOYSA-N
XLogP5.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.49
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-decylsulfanylthiophene-2-carbaldehyde 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-decylsulfanyl-5-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(5-decylsulfanylthiophen-2-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]thiophene
CID 10440027
2,5-bis(5-octylsulfanylthiophen-2-yl)thiophene
CID 71361773
2-hexylsulfanyl-5-[5-[5-[5-[5-(5-hexylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 15187094
1-(5-tetradecylsulfanylthiophen-2-yl)ethanone
CID 71390469
4-dodecylsulfanylbenzaldehyde
CID 54048765
trichloro-[5-[5-[5-(5-hexylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]silane
CID 59687604
bis(5-butylsulfanylthiophen-2-yl)iodanium
CID 154075831
5-undec-1-ynylthiophene-2-carbaldehyde
CID 18373132
2-[2-[5-[2-(5-dodecylsulfanylthiophen-2-yl)ethynyl]thiophen-2-yl]ethynyl]-5-[2-[5-[2-(5-nitrothiophen-2-yl)ethynyl]thiophen-2-yl]ethynyl]thiophene
CID 102178425
3-heptylsulfanylbenzaldehyde
CID 66355979
3-decylsulfanylbenzaldehyde
CID 66356420
5-[(2-chlorophenyl)methylsulfanyl]thiophene-2-carbaldehyde
CID 103290693

Frequently Asked Questions

What is the IUPAC name of 5-decylsulfanylthiophene-2-carbaldehyde?
The IUPAC name of 5-decylsulfanylthiophene-2-carbaldehyde (CID 10469146) is 5-decylsulfanylthiophene-2-carbaldehyde.
What is the SMILES notation for 5-decylsulfanylthiophene-2-carbaldehyde?
The canonical SMILES for 5-decylsulfanylthiophene-2-carbaldehyde is CCCCCCCCCCSc1ccc(C=O)s1.
What is the InChIKey of 5-decylsulfanylthiophene-2-carbaldehyde?
The InChIKey is WWDXFTQIQSQCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24OS2/c1-2-3-4-5-6-7-8-9-12-17-15-11-10-14(13-16)18-15/h10-11,13H,2-9,12H2,1H3.
What are the key properties of 5-decylsulfanylthiophene-2-carbaldehyde?
5-decylsulfanylthiophene-2-carbaldehyde has a molecular weight of 284.49 g/mol, XLogP of 5.79, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-decylsulfanylthiophene-2-carbaldehyde is sourced from PubChem (CID 10469146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).