2H-thiopyran-2-sulfonyl chloride

C5H5ClO2S2 — CID 154508223

IUPAC2H-thiopyran-2-sulfonyl chloride
SMILESO=S(=O)(Cl)C1C=CC=CS1
InChIInChI=1S/C5H5ClO2S2/c6-10(7,8)5-3-1-2-4-9-5/h1-5H
InChIKeyYSNSQTQZAAKEMZ-UHFFFAOYSA-N
MW196.68 g/mol
LogP1.70
Rot. Bonds1

About 2H-thiopyran-2-sulfonyl chloride

2H-thiopyran-2-sulfonyl chloride (PubChem CID 154508223) has the molecular formula C5H5ClO2S2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 2H-thiopyran-2-sulfonyl chloride.

Molecular Properties

Compound Name2H-thiopyran-2-sulfonyl chloride
PubChem CID154508223
Molecular FormulaC5H5ClO2S2
Molecular Weight196.68 g/mol
Exact Mass195.94
IUPAC Name2H-thiopyran-2-sulfonyl chloride
SMILESO=S(=O)(Cl)C1C=CC=CS1
InChIInChI=1S/C5H5ClO2S2/c6-10(7,8)5-3-1-2-4-9-5/h1-5H
InChIKeyYSNSQTQZAAKEMZ-UHFFFAOYSA-N
XLogP1.70
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-thiopyran-2-sulfonyl chloride?
The IUPAC name of 2H-thiopyran-2-sulfonyl chloride (CID 154508223) is 2H-thiopyran-2-sulfonyl chloride.
What is the SMILES notation for 2H-thiopyran-2-sulfonyl chloride?
The canonical SMILES for 2H-thiopyran-2-sulfonyl chloride is O=S(=O)(Cl)C1C=CC=CS1.
What is the InChIKey of 2H-thiopyran-2-sulfonyl chloride?
The InChIKey is YSNSQTQZAAKEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClO2S2/c6-10(7,8)5-3-1-2-4-9-5/h1-5H.
What are the key properties of 2H-thiopyran-2-sulfonyl chloride?
2H-thiopyran-2-sulfonyl chloride has a molecular weight of 196.68 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-thiopyran-2-sulfonyl chloride is sourced from PubChem (CID 154508223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).