6,6-dimethyl-5H-thieno[2,3-b]pyran-4-one

C9H10O2S — CID 19100985

IUPAC6,6-dimethyl-5H-thieno[2,3-b]pyran-4-one
SMILESCC1(C)Cc2c(occc2=O)S1
InChIInChI=1S/C9H10O2S/c1-9(2)5-6-7(10)3-4-11-8(6)12-9/h3-4H,5H2,1-2H3
InChIKeyJAXQJWIGLQBOPF-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.07
Rot. Bonds

About 6,6-dimethyl-5H-thieno[2,3-b]pyran-4-one

6,6-dimethyl-5H-thieno[2,3-b]pyran-4-one (PubChem CID 19100985) has the molecular formula C9H10O2S and a molecular weight of 182.24 g/mol. Its IUPAC name is 6,6-dimethyl-5H-thieno[2,3-b]pyran-4-one.

Molecular Properties

Compound Name6,6-dimethyl-5H-thieno[2,3-b]pyran-4-one
PubChem CID19100985
Molecular FormulaC9H10O2S
Molecular Weight182.24 g/mol
Exact Mass182.04
IUPAC Name6,6-dimethyl-5H-thieno[2,3-b]pyran-4-one
SMILESCC1(C)Cc2c(occc2=O)S1
InChIInChI=1S/C9H10O2S/c1-9(2)5-6-7(10)3-4-11-8(6)12-9/h3-4H,5H2,1-2H3
InChIKeyJAXQJWIGLQBOPF-UHFFFAOYSA-N
XLogP2.07
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-5H-thieno[2,3-b]pyran-4-one?
The IUPAC name of 6,6-dimethyl-5H-thieno[2,3-b]pyran-4-one (CID 19100985) is 6,6-dimethyl-5H-thieno[2,3-b]pyran-4-one.
What is the SMILES notation for 6,6-dimethyl-5H-thieno[2,3-b]pyran-4-one?
The canonical SMILES for 6,6-dimethyl-5H-thieno[2,3-b]pyran-4-one is CC1(C)Cc2c(occc2=O)S1.
What is the InChIKey of 6,6-dimethyl-5H-thieno[2,3-b]pyran-4-one?
The InChIKey is JAXQJWIGLQBOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2S/c1-9(2)5-6-7(10)3-4-11-8(6)12-9/h3-4H,5H2,1-2H3.
What are the key properties of 6,6-dimethyl-5H-thieno[2,3-b]pyran-4-one?
6,6-dimethyl-5H-thieno[2,3-b]pyran-4-one has a molecular weight of 182.24 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-5H-thieno[2,3-b]pyran-4-one is sourced from PubChem (CID 19100985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).