dodecylsulfinylmethylbenzene

C19H32OS — CID 15351059

IUPACdodecylsulfinylmethylbenzene
SMILESCCCCCCCCCCCCS(=O)Cc1ccccc1
InChIInChI=1S/C19H32OS/c1-2-3-4-5-6-7-8-9-10-14-17-21(20)18-19-15-12-11-13-16-19/h11-13,15-16H,2-10,14,17-18H2,1H3
InChIKeyGGWRDGCVVQILMF-UHFFFAOYSA-N
MW308.53 g/mol
LogP5.86
Rot. Bonds13

About dodecylsulfinylmethylbenzene

dodecylsulfinylmethylbenzene (PubChem CID 15351059) has the molecular formula C19H32OS and a molecular weight of 308.53 g/mol. Its IUPAC name is dodecylsulfinylmethylbenzene.

Molecular Properties

Compound Namedodecylsulfinylmethylbenzene
PubChem CID15351059
Molecular FormulaC19H32OS
Molecular Weight308.53 g/mol
Exact Mass308.22
IUPAC Namedodecylsulfinylmethylbenzene
SMILESCCCCCCCCCCCCS(=O)Cc1ccccc1
InChIInChI=1S/C19H32OS/c1-2-3-4-5-6-7-8-9-10-14-17-21(20)18-19-15-12-11-13-16-19/h11-13,15-16H,2-10,14,17-18H2,1H3
InChIKeyGGWRDGCVVQILMF-UHFFFAOYSA-N
XLogP5.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.53
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze dodecylsulfinylmethylbenzene 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 dodecylsulfinylmethylbenzene?
The IUPAC name of dodecylsulfinylmethylbenzene (CID 15351059) is dodecylsulfinylmethylbenzene.
What is the SMILES notation for dodecylsulfinylmethylbenzene?
The canonical SMILES for dodecylsulfinylmethylbenzene is CCCCCCCCCCCCS(=O)Cc1ccccc1.
What is the InChIKey of dodecylsulfinylmethylbenzene?
The InChIKey is GGWRDGCVVQILMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32OS/c1-2-3-4-5-6-7-8-9-10-14-17-21(20)18-19-15-12-11-13-16-19/h11-13,15-16H,2-10,14,17-18H2,1H3.
What are the key properties of dodecylsulfinylmethylbenzene?
dodecylsulfinylmethylbenzene has a molecular weight of 308.53 g/mol, XLogP of 5.86, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodecylsulfinylmethylbenzene is sourced from PubChem (CID 15351059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).