5-methyl-4-sulfanylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridin-6-one

C8H9NOS2 — CID 22085286

IUPAC5-methyl-4-sulfanylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridin-6-one
SMILESCN1C(=O)C=C2SCCC2C1=S
InChIInChI=1S/C8H9NOS2/c1-9-7(10)4-6-5(8(9)11)2-3-12-6/h4-5H,2-3H2,1H3
InChIKeyPIXWXCNBFOGMAK-UHFFFAOYSA-N
MW199.30 g/mol
LogP1.42
Rot. Bonds

About 5-methyl-4-sulfanylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridin-6-one

5-methyl-4-sulfanylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridin-6-one (PubChem CID 22085286) has the molecular formula C8H9NOS2 and a molecular weight of 199.30 g/mol. Its IUPAC name is 5-methyl-4-sulfanylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridin-6-one.

Molecular Properties

Compound Name5-methyl-4-sulfanylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridin-6-one
PubChem CID22085286
Molecular FormulaC8H9NOS2
Molecular Weight199.30 g/mol
Exact Mass199.01
IUPAC Name5-methyl-4-sulfanylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridin-6-one
SMILESCN1C(=O)C=C2SCCC2C1=S
InChIInChI=1S/C8H9NOS2/c1-9-7(10)4-6-5(8(9)11)2-3-12-6/h4-5H,2-3H2,1H3
InChIKeyPIXWXCNBFOGMAK-UHFFFAOYSA-N
XLogP1.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-sulfanylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridin-6-one?
The IUPAC name of 5-methyl-4-sulfanylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridin-6-one (CID 22085286) is 5-methyl-4-sulfanylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridin-6-one.
What is the SMILES notation for 5-methyl-4-sulfanylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridin-6-one?
The canonical SMILES for 5-methyl-4-sulfanylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridin-6-one is CN1C(=O)C=C2SCCC2C1=S.
What is the InChIKey of 5-methyl-4-sulfanylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridin-6-one?
The InChIKey is PIXWXCNBFOGMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS2/c1-9-7(10)4-6-5(8(9)11)2-3-12-6/h4-5H,2-3H2,1H3.
What are the key properties of 5-methyl-4-sulfanylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridin-6-one?
5-methyl-4-sulfanylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridin-6-one has a molecular weight of 199.30 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-sulfanylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridin-6-one is sourced from PubChem (CID 22085286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).