4-methylsulfanylpyran-2-one

C6H6O2S — CID 152760299

IUPAC4-methylsulfanylpyran-2-one
SMILESCSc1ccoc(=O)c1
InChIInChI=1S/C6H6O2S/c1-9-5-2-3-8-6(7)4-5/h2-4H,1H3
InChIKeyIUEQACCTEDFVMB-UHFFFAOYSA-N
MW142.18 g/mol
LogP1.36
Rot. Bonds1

About 4-methylsulfanylpyran-2-one

4-methylsulfanylpyran-2-one (PubChem CID 152760299) has the molecular formula C6H6O2S and a molecular weight of 142.18 g/mol. Its IUPAC name is 4-methylsulfanylpyran-2-one.

Molecular Properties

Compound Name4-methylsulfanylpyran-2-one
PubChem CID152760299
Molecular FormulaC6H6O2S
Molecular Weight142.18 g/mol
Exact Mass142.01
IUPAC Name4-methylsulfanylpyran-2-one
SMILESCSc1ccoc(=O)c1
InChIInChI=1S/C6H6O2S/c1-9-5-2-3-8-6(7)4-5/h2-4H,1H3
InChIKeyIUEQACCTEDFVMB-UHFFFAOYSA-N
XLogP1.36
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-Methylsulfanylpenta-1,2,3-trienyl)pyran-2-one
CID 101415107
(Thio)pyrone
CID 91250069
gamma-Thiopyrone
CID 129849289
Methyl 2-methylthio 2,4-pentadienoate
CID 13813235
6-Methylsulfanylpyran-2-one
CID 138976082
magnesium;2-methylsulfanyl-3H-pyran-3-id-6-one;chloride
CID 138976084
ethyl (2E,4E)-6-methylsulfanyl-6-oxohexa-2,4-dienoate
CID 21593173
4-Sulfanylpyran-2-one
CID 54080525
6-Prop-1-enyl-1,3-oxathiin-4-one
CID 140006668
2H-thiopyran-2-yl acetate
CID 153941776
ethenyl (2Z)-2-methylsulfanylpenta-2,4-dienoate
CID 156846359
4-Methylsulfonylpyran-2-one
CID 14642785

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanylpyran-2-one?
The IUPAC name of 4-methylsulfanylpyran-2-one (CID 152760299) is 4-methylsulfanylpyran-2-one.
What is the SMILES notation for 4-methylsulfanylpyran-2-one?
The canonical SMILES for 4-methylsulfanylpyran-2-one is CSc1ccoc(=O)c1.
What is the InChIKey of 4-methylsulfanylpyran-2-one?
The InChIKey is IUEQACCTEDFVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2S/c1-9-5-2-3-8-6(7)4-5/h2-4H,1H3.
What are the key properties of 4-methylsulfanylpyran-2-one?
4-methylsulfanylpyran-2-one has a molecular weight of 142.18 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanylpyran-2-one is sourced from PubChem (CID 152760299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).