5-methyl-2H-thiopyran 1,1-dioxide

C6H8O2S — CID 18516753

IUPAC5-methyl-2H-thiopyran 1,1-dioxide
SMILESCC1=CS(=O)(=O)CC=C1
InChIInChI=1S/C6H8O2S/c1-6-3-2-4-9(7,8)5-6/h2-3,5H,4H2,1H3
InChIKeyZNRMGBQXWAUDRM-UHFFFAOYSA-N
MW144.19 g/mol
LogP0.87
Rot. Bonds

About 5-methyl-2H-thiopyran 1,1-dioxide

5-methyl-2H-thiopyran 1,1-dioxide (PubChem CID 18516753) has the molecular formula C6H8O2S and a molecular weight of 144.19 g/mol. Its IUPAC name is 5-methyl-2H-thiopyran 1,1-dioxide.

Molecular Properties

Compound Name5-methyl-2H-thiopyran 1,1-dioxide
PubChem CID18516753
Molecular FormulaC6H8O2S
Molecular Weight144.19 g/mol
Exact Mass144.02
IUPAC Name5-methyl-2H-thiopyran 1,1-dioxide
SMILESCC1=CS(=O)(=O)CC=C1
InChIInChI=1S/C6H8O2S/c1-6-3-2-4-9(7,8)5-6/h2-3,5H,4H2,1H3
InChIKeyZNRMGBQXWAUDRM-UHFFFAOYSA-N
XLogP0.87
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2H-thiopyran 1,1-dioxide?
The IUPAC name of 5-methyl-2H-thiopyran 1,1-dioxide (CID 18516753) is 5-methyl-2H-thiopyran 1,1-dioxide.
What is the SMILES notation for 5-methyl-2H-thiopyran 1,1-dioxide?
The canonical SMILES for 5-methyl-2H-thiopyran 1,1-dioxide is CC1=CS(=O)(=O)CC=C1.
What is the InChIKey of 5-methyl-2H-thiopyran 1,1-dioxide?
The InChIKey is ZNRMGBQXWAUDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2S/c1-6-3-2-4-9(7,8)5-6/h2-3,5H,4H2,1H3.
What are the key properties of 5-methyl-2H-thiopyran 1,1-dioxide?
5-methyl-2H-thiopyran 1,1-dioxide has a molecular weight of 144.19 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2H-thiopyran 1,1-dioxide is sourced from PubChem (CID 18516753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).