methanesulfonic acid;2H-thiopyran 1-oxide

C6H10O4S2 — CID 89155967

IUPACmethanesulfonic acid;2H-thiopyran 1-oxide
SMILESCS(=O)(=O)O.O=S1C=CC=CC1
InChIInChI=1S/C5H6OS.CH4O3S/c6-7-4-2-1-3-5-7;1-5(2,3)4/h1-4H,5H2;1H3,(H,2,3,4)
InChIKeyWOLBUCANFNZKCJ-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.32
Rot. Bonds

About methanesulfonic acid;2H-thiopyran 1-oxide

methanesulfonic acid;2H-thiopyran 1-oxide (PubChem CID 89155967) has the molecular formula C6H10O4S2 and a molecular weight of 210.28 g/mol. Its IUPAC name is methanesulfonic acid;2H-thiopyran 1-oxide.

Molecular Properties

Compound Namemethanesulfonic acid;2H-thiopyran 1-oxide
PubChem CID89155967
Molecular FormulaC6H10O4S2
Molecular Weight210.28 g/mol
Exact Mass210.00
IUPAC Namemethanesulfonic acid;2H-thiopyran 1-oxide
SMILESCS(=O)(=O)O.O=S1C=CC=CC1
InChIInChI=1S/C5H6OS.CH4O3S/c6-7-4-2-1-3-5-7;1-5(2,3)4/h1-4H,5H2;1H3,(H,2,3,4)
InChIKeyWOLBUCANFNZKCJ-UHFFFAOYSA-N
XLogP0.32
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methanesulfonic acid;2H-thiopyran 1-oxide 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;2H-thiopyran 1-oxide?
The IUPAC name of methanesulfonic acid;2H-thiopyran 1-oxide (CID 89155967) is methanesulfonic acid;2H-thiopyran 1-oxide.
What is the SMILES notation for methanesulfonic acid;2H-thiopyran 1-oxide?
The canonical SMILES for methanesulfonic acid;2H-thiopyran 1-oxide is CS(=O)(=O)O.O=S1C=CC=CC1.
What is the InChIKey of methanesulfonic acid;2H-thiopyran 1-oxide?
The InChIKey is WOLBUCANFNZKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6OS.CH4O3S/c6-7-4-2-1-3-5-7;1-5(2,3)4/h1-4H,5H2;1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;2H-thiopyran 1-oxide?
methanesulfonic acid;2H-thiopyran 1-oxide has a molecular weight of 210.28 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;2H-thiopyran 1-oxide is sourced from PubChem (CID 89155967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).