methane;2H-thiopyran-2-sulfonic acid

C6H10O3S2 — CID 174408472

IUPACmethane;2H-thiopyran-2-sulfonic acid
SMILESC.O=S(=O)(O)C1C=CC=CS1
InChIInChI=1S/C5H6O3S2.CH4/c6-10(7,8)5-3-1-2-4-9-5;/h1-5H,(H,6,7,8);1H4
InChIKeyOSLLMVYCENKRBS-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.65
Rot. Bonds1

About methane;2H-thiopyran-2-sulfonic acid

methane;2H-thiopyran-2-sulfonic acid (PubChem CID 174408472) has the molecular formula C6H10O3S2 and a molecular weight of 194.28 g/mol. Its IUPAC name is methane;2H-thiopyran-2-sulfonic acid.

Molecular Properties

Compound Namemethane;2H-thiopyran-2-sulfonic acid
PubChem CID174408472
Molecular FormulaC6H10O3S2
Molecular Weight194.28 g/mol
Exact Mass194.01
IUPAC Namemethane;2H-thiopyran-2-sulfonic acid
SMILESC.O=S(=O)(O)C1C=CC=CS1
InChIInChI=1S/C5H6O3S2.CH4/c6-10(7,8)5-3-1-2-4-9-5;/h1-5H,(H,6,7,8);1H4
InChIKeyOSLLMVYCENKRBS-UHFFFAOYSA-N
XLogP1.65
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methane;2H-thiopyran-2-sulfonic acid 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 methane;2H-thiopyran-2-sulfonic acid?
The IUPAC name of methane;2H-thiopyran-2-sulfonic acid (CID 174408472) is methane;2H-thiopyran-2-sulfonic acid.
What is the SMILES notation for methane;2H-thiopyran-2-sulfonic acid?
The canonical SMILES for methane;2H-thiopyran-2-sulfonic acid is C.O=S(=O)(O)C1C=CC=CS1.
What is the InChIKey of methane;2H-thiopyran-2-sulfonic acid?
The InChIKey is OSLLMVYCENKRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O3S2.CH4/c6-10(7,8)5-3-1-2-4-9-5;/h1-5H,(H,6,7,8);1H4.
What are the key properties of methane;2H-thiopyran-2-sulfonic acid?
methane;2H-thiopyran-2-sulfonic acid has a molecular weight of 194.28 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2H-thiopyran-2-sulfonic acid is sourced from PubChem (CID 174408472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).