methanesulfonic acid;styrene

C9H12O3S — CID 23194994

IUPACmethanesulfonic acid;styrene
SMILESC=Cc1ccccc1.CS(=O)(=O)O
InChIInChI=1S/C8H8.CH4O3S/c1-2-8-6-4-3-5-7-8;1-5(2,3)4/h2-7H,1H2;1H3,(H,2,3,4)
InChIKeyQLJYSYOCKIEHRV-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.83
Rot. Bonds1

About methanesulfonic acid;styrene

methanesulfonic acid;styrene (PubChem CID 23194994) has the molecular formula C9H12O3S and a molecular weight of 200.26 g/mol. Its IUPAC name is methanesulfonic acid;styrene.

Molecular Properties

Compound Namemethanesulfonic acid;styrene
PubChem CID23194994
Molecular FormulaC9H12O3S
Molecular Weight200.26 g/mol
Exact Mass200.05
IUPAC Namemethanesulfonic acid;styrene
SMILESC=Cc1ccccc1.CS(=O)(=O)O
InChIInChI=1S/C8H8.CH4O3S/c1-2-8-6-4-3-5-7-8;1-5(2,3)4/h2-7H,1H2;1H3,(H,2,3,4)
InChIKeyQLJYSYOCKIEHRV-UHFFFAOYSA-N
XLogP1.83
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze methanesulfonic acid;styrene 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 methanesulfonic acid;styrene?
The IUPAC name of methanesulfonic acid;styrene (CID 23194994) is methanesulfonic acid;styrene.
What is the SMILES notation for methanesulfonic acid;styrene?
The canonical SMILES for methanesulfonic acid;styrene is C=Cc1ccccc1.CS(=O)(=O)O.
What is the InChIKey of methanesulfonic acid;styrene?
The InChIKey is QLJYSYOCKIEHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.CH4O3S/c1-2-8-6-4-3-5-7-8;1-5(2,3)4/h2-7H,1H2;1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;styrene?
methanesulfonic acid;styrene has a molecular weight of 200.26 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;styrene is sourced from PubChem (CID 23194994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).