decylsulfanylbenzene

C16H26S — CID 573703

IUPACdecylsulfanylbenzene
SMILESCCCCCCCCCCSc1ccccc1
InChIInChI=1S/C16H26S/c1-2-3-4-5-6-7-8-12-15-17-16-13-10-9-11-14-16/h9-11,13-14H,2-8,12,15H2,1H3
InChIKeyPKAZBZIEOSJIDC-UHFFFAOYSA-N
MW250.45 g/mol
LogP5.92
Rot. Bonds10

About decylsulfanylbenzene

decylsulfanylbenzene (PubChem CID 573703) has the molecular formula C16H26S and a molecular weight of 250.45 g/mol. Its IUPAC name is decylsulfanylbenzene.

Molecular Properties

Compound Namedecylsulfanylbenzene
PubChem CID573703
Molecular FormulaC16H26S
Molecular Weight250.45 g/mol
Exact Mass250.18
IUPAC Namedecylsulfanylbenzene
SMILESCCCCCCCCCCSc1ccccc1
InChIInChI=1S/C16H26S/c1-2-3-4-5-6-7-8-12-15-17-16-13-10-9-11-14-16/h9-11,13-14H,2-8,12,15H2,1H3
InChIKeyPKAZBZIEOSJIDC-UHFFFAOYSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.45
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze decylsulfanylbenzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of decylsulfanylbenzene?
The IUPAC name of decylsulfanylbenzene (CID 573703) is decylsulfanylbenzene.
What is the SMILES notation for decylsulfanylbenzene?
The canonical SMILES for decylsulfanylbenzene is CCCCCCCCCCSc1ccccc1.
What is the InChIKey of decylsulfanylbenzene?
The InChIKey is PKAZBZIEOSJIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26S/c1-2-3-4-5-6-7-8-12-15-17-16-13-10-9-11-14-16/h9-11,13-14H,2-8,12,15H2,1H3.
What are the key properties of decylsulfanylbenzene?
decylsulfanylbenzene has a molecular weight of 250.45 g/mol, XLogP of 5.92, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for decylsulfanylbenzene is sourced from PubChem (CID 573703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).