nonylsulfanylbenzene

C15H24S — CID 11746643

IUPACnonylsulfanylbenzene
SMILESCCCCCCCCCSc1ccccc1
InChIInChI=1S/C15H24S/c1-2-3-4-5-6-7-11-14-16-15-12-9-8-10-13-15/h8-10,12-13H,2-7,11,14H2,1H3
InChIKeyJXASPOITXHFJLW-UHFFFAOYSA-N
MW236.42 g/mol
LogP5.53
Rot. Bonds9

About nonylsulfanylbenzene

nonylsulfanylbenzene (PubChem CID 11746643) has the molecular formula C15H24S and a molecular weight of 236.42 g/mol. Its IUPAC name is nonylsulfanylbenzene.

Molecular Properties

Compound Namenonylsulfanylbenzene
PubChem CID11746643
Molecular FormulaC15H24S
Molecular Weight236.42 g/mol
Exact Mass236.16
IUPAC Namenonylsulfanylbenzene
SMILESCCCCCCCCCSc1ccccc1
InChIInChI=1S/C15H24S/c1-2-3-4-5-6-7-11-14-16-15-12-9-8-10-13-15/h8-10,12-13H,2-7,11,14H2,1H3
InChIKeyJXASPOITXHFJLW-UHFFFAOYSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.42
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze nonylsulfanylbenzene 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 nonylsulfanylbenzene?
The IUPAC name of nonylsulfanylbenzene (CID 11746643) is nonylsulfanylbenzene.
What is the SMILES notation for nonylsulfanylbenzene?
The canonical SMILES for nonylsulfanylbenzene is CCCCCCCCCSc1ccccc1.
What is the InChIKey of nonylsulfanylbenzene?
The InChIKey is JXASPOITXHFJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24S/c1-2-3-4-5-6-7-11-14-16-15-12-9-8-10-13-15/h8-10,12-13H,2-7,11,14H2,1H3.
What are the key properties of nonylsulfanylbenzene?
nonylsulfanylbenzene has a molecular weight of 236.42 g/mol, XLogP of 5.53, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nonylsulfanylbenzene is sourced from PubChem (CID 11746643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).