4,5-dimethyl-6-methylsulfanylpyran-2-one

C8H10O2S — CID 14742263

IUPAC4,5-dimethyl-6-methylsulfanylpyran-2-one
SMILESCSc1oc(=O)cc(C)c1C
InChIInChI=1S/C8H10O2S/c1-5-4-7(9)10-8(11-3)6(5)2/h4H,1-3H3
InChIKeyNHAOUGBPLDCPOR-UHFFFAOYSA-N
MW170.23 g/mol
LogP1.98
Rot. Bonds1

About 4,5-dimethyl-6-methylsulfanylpyran-2-one

4,5-dimethyl-6-methylsulfanylpyran-2-one (PubChem CID 14742263) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is 4,5-dimethyl-6-methylsulfanylpyran-2-one.

Molecular Properties

Compound Name4,5-dimethyl-6-methylsulfanylpyran-2-one
PubChem CID14742263
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Name4,5-dimethyl-6-methylsulfanylpyran-2-one
SMILESCSc1oc(=O)cc(C)c1C
InChIInChI=1S/C8H10O2S/c1-5-4-7(9)10-8(11-3)6(5)2/h4H,1-3H3
InChIKeyNHAOUGBPLDCPOR-UHFFFAOYSA-N
XLogP1.98
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-6-methylsulfanylpyran-2-one?
The IUPAC name of 4,5-dimethyl-6-methylsulfanylpyran-2-one (CID 14742263) is 4,5-dimethyl-6-methylsulfanylpyran-2-one.
What is the SMILES notation for 4,5-dimethyl-6-methylsulfanylpyran-2-one?
The canonical SMILES for 4,5-dimethyl-6-methylsulfanylpyran-2-one is CSc1oc(=O)cc(C)c1C.
What is the InChIKey of 4,5-dimethyl-6-methylsulfanylpyran-2-one?
The InChIKey is NHAOUGBPLDCPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S/c1-5-4-7(9)10-8(11-3)6(5)2/h4H,1-3H3.
What are the key properties of 4,5-dimethyl-6-methylsulfanylpyran-2-one?
4,5-dimethyl-6-methylsulfanylpyran-2-one has a molecular weight of 170.23 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-6-methylsulfanylpyran-2-one is sourced from PubChem (CID 14742263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).