2H-thiopyran-2-ide 1,1-dioxide

C5H5O2S- — CID 19918808

IUPAC2H-thiopyran-2-ide 1,1-dioxide
SMILESO=S1(=O)C=CC=C[CH-]1
InChIInChI=1S/C5H5O2S/c6-8(7)4-2-1-3-5-8/h1-5H/q-1
InChIKeyYIOGSWVYQOBXLM-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.65
Rot. Bonds

About 2H-thiopyran-2-ide 1,1-dioxide

2H-thiopyran-2-ide 1,1-dioxide (PubChem CID 19918808) has the molecular formula C5H5O2S- and a molecular weight of 129.16 g/mol. Its IUPAC name is 2H-thiopyran-2-ide 1,1-dioxide.

Molecular Properties

Compound Name2H-thiopyran-2-ide 1,1-dioxide
PubChem CID19918808
Molecular FormulaC5H5O2S-
Molecular Weight129.16 g/mol
Exact Mass129.00
IUPAC Name2H-thiopyran-2-ide 1,1-dioxide
SMILESO=S1(=O)C=CC=C[CH-]1
InChIInChI=1S/C5H5O2S/c6-8(7)4-2-1-3-5-8/h1-5H/q-1
InChIKeyYIOGSWVYQOBXLM-UHFFFAOYSA-N
XLogP0.65
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2H-thiopyran-2-ide 1,1-dioxide?
The IUPAC name of 2H-thiopyran-2-ide 1,1-dioxide (CID 19918808) is 2H-thiopyran-2-ide 1,1-dioxide.
What is the SMILES notation for 2H-thiopyran-2-ide 1,1-dioxide?
The canonical SMILES for 2H-thiopyran-2-ide 1,1-dioxide is O=S1(=O)C=CC=C[CH-]1.
What is the InChIKey of 2H-thiopyran-2-ide 1,1-dioxide?
The InChIKey is YIOGSWVYQOBXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5O2S/c6-8(7)4-2-1-3-5-8/h1-5H/q-1.
What are the key properties of 2H-thiopyran-2-ide 1,1-dioxide?
2H-thiopyran-2-ide 1,1-dioxide has a molecular weight of 129.16 g/mol, XLogP of 0.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-thiopyran-2-ide 1,1-dioxide is sourced from PubChem (CID 19918808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).