4-methylsulfanyl-6-thiophen-2-yl-1H-pyridin-2-one

C10H9NOS2 — CID 131860861

IUPAC4-methylsulfanyl-6-thiophen-2-yl-1H-pyridin-2-one
SMILESCSc1cc(-c2cccs2)[nH]c(=O)c1
InChIInChI=1S/C10H9NOS2/c1-13-7-5-8(11-10(12)6-7)9-3-2-4-14-9/h2-6H,1H3,(H,11,12)
InChIKeyMUVOPWSHNXGSMV-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.83
Rot. Bonds2

About 4-methylsulfanyl-6-thiophen-2-yl-1H-pyridin-2-one

4-methylsulfanyl-6-thiophen-2-yl-1H-pyridin-2-one (PubChem CID 131860861) has the molecular formula C10H9NOS2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-methylsulfanyl-6-thiophen-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-methylsulfanyl-6-thiophen-2-yl-1H-pyridin-2-one
PubChem CID131860861
Molecular FormulaC10H9NOS2
Molecular Weight223.32 g/mol
Exact Mass223.01
IUPAC Name4-methylsulfanyl-6-thiophen-2-yl-1H-pyridin-2-one
SMILESCSc1cc(-c2cccs2)[nH]c(=O)c1
InChIInChI=1S/C10H9NOS2/c1-13-7-5-8(11-10(12)6-7)9-3-2-4-14-9/h2-6H,1H3,(H,11,12)
InChIKeyMUVOPWSHNXGSMV-UHFFFAOYSA-N
XLogP2.83
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-6-thiophen-2-yl-1H-pyridin-2-one?
The IUPAC name of 4-methylsulfanyl-6-thiophen-2-yl-1H-pyridin-2-one (CID 131860861) is 4-methylsulfanyl-6-thiophen-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 4-methylsulfanyl-6-thiophen-2-yl-1H-pyridin-2-one?
The canonical SMILES for 4-methylsulfanyl-6-thiophen-2-yl-1H-pyridin-2-one is CSc1cc(-c2cccs2)[nH]c(=O)c1.
What is the InChIKey of 4-methylsulfanyl-6-thiophen-2-yl-1H-pyridin-2-one?
The InChIKey is MUVOPWSHNXGSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS2/c1-13-7-5-8(11-10(12)6-7)9-3-2-4-14-9/h2-6H,1H3,(H,11,12).
What are the key properties of 4-methylsulfanyl-6-thiophen-2-yl-1H-pyridin-2-one?
4-methylsulfanyl-6-thiophen-2-yl-1H-pyridin-2-one has a molecular weight of 223.32 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-6-thiophen-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 131860861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).