2-sulfonylthiopyran

C5H4O2S2 — CID 139900163

IUPAC2-sulfonylthiopyran
SMILESO=S(=O)=c1ccccs1
InChIInChI=1S/C5H4O2S2/c6-9(7)5-3-1-2-4-8-5/h1-4H
InChIKeyHNYHLZZGFQHTAO-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.16
Rot. Bonds

About 2-sulfonylthiopyran

2-sulfonylthiopyran (PubChem CID 139900163) has the molecular formula C5H4O2S2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-sulfonylthiopyran.

Molecular Properties

Compound Name2-sulfonylthiopyran
PubChem CID139900163
Molecular FormulaC5H4O2S2
Molecular Weight160.22 g/mol
Exact Mass159.97
IUPAC Name2-sulfonylthiopyran
SMILESO=S(=O)=c1ccccs1
InChIInChI=1S/C5H4O2S2/c6-9(7)5-3-1-2-4-8-5/h1-4H
InChIKeyHNYHLZZGFQHTAO-UHFFFAOYSA-N
XLogP1.16
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-sulfonylthiopyran?
The IUPAC name of 2-sulfonylthiopyran (CID 139900163) is 2-sulfonylthiopyran.
What is the SMILES notation for 2-sulfonylthiopyran?
The canonical SMILES for 2-sulfonylthiopyran is O=S(=O)=c1ccccs1.
What is the InChIKey of 2-sulfonylthiopyran?
The InChIKey is HNYHLZZGFQHTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4O2S2/c6-9(7)5-3-1-2-4-8-5/h1-4H.
What are the key properties of 2-sulfonylthiopyran?
2-sulfonylthiopyran has a molecular weight of 160.22 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfonylthiopyran is sourced from PubChem (CID 139900163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).