6-methylsulfanylpyran-2-one

C6H6O2S — CID 138976082

IUPAC6-methylsulfanylpyran-2-one
SMILESCSc1cccc(=O)o1
InChIInChI=1S/C6H6O2S/c1-9-6-4-2-3-5(7)8-6/h2-4H,1H3
InChIKeyXCFUUMLJDUJQIK-UHFFFAOYSA-N
MW142.18 g/mol
LogP1.36
Rot. Bonds1

About 6-methylsulfanylpyran-2-one

6-methylsulfanylpyran-2-one (PubChem CID 138976082) has the molecular formula C6H6O2S and a molecular weight of 142.18 g/mol. Its IUPAC name is 6-methylsulfanylpyran-2-one.

Molecular Properties

Compound Name6-methylsulfanylpyran-2-one
PubChem CID138976082
Molecular FormulaC6H6O2S
Molecular Weight142.18 g/mol
Exact Mass142.01
IUPAC Name6-methylsulfanylpyran-2-one
SMILESCSc1cccc(=O)o1
InChIInChI=1S/C6H6O2S/c1-9-6-4-2-3-5(7)8-6/h2-4H,1H3
InChIKeyXCFUUMLJDUJQIK-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
4-Methyl-6-methylsulfanylpyran-2-one
CID 14742262
5-Iodo-6-methylsulfanylpyran-2-one
CID 138976083
magnesium;2-methylsulfanyl-3H-pyran-3-id-6-one;chloride
CID 138976084
2H-Pyran-2-one, 6-[4,4-bis(methylthio)-1,2,3-butatrienyl]-
CID 609833
4-Methylsulfanylpyran-2-one
CID 152760299
ethenyl (2Z)-2-methylsulfanylpenta-2,4-dienoate
CID 156846359
6-Pentylsulfanylpyran-2-one
CID 175413193
methyl (2E,4E)-5-methylsulfanylpenta-2,4-dienoate
CID 101603762

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanylpyran-2-one?
The IUPAC name of 6-methylsulfanylpyran-2-one (CID 138976082) is 6-methylsulfanylpyran-2-one.
What is the SMILES notation for 6-methylsulfanylpyran-2-one?
The canonical SMILES for 6-methylsulfanylpyran-2-one is CSc1cccc(=O)o1.
What is the InChIKey of 6-methylsulfanylpyran-2-one?
The InChIKey is XCFUUMLJDUJQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2S/c1-9-6-4-2-3-5(7)8-6/h2-4H,1H3.
What are the key properties of 6-methylsulfanylpyran-2-one?
6-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 6-methylsulfanylpyran-2-one is sourced from PubChem (CID 138976082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).