7-methylsulfanyl-5H-thieno[3,2-c]pyridin-4-one

C8H7NOS2 — CID 119091655

IUPAC7-methylsulfanyl-5H-thieno[3,2-c]pyridin-4-one
SMILESCSc1c[nH]c(=O)c2ccsc12
InChIInChI=1S/C8H7NOS2/c1-11-6-4-9-8(10)5-2-3-12-7(5)6/h2-4H,1H3,(H,9,10)
InChIKeyGONJITXKQIVSCW-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.31
Rot. Bonds1

About 7-methylsulfanyl-5H-thieno[3,2-c]pyridin-4-one

7-methylsulfanyl-5H-thieno[3,2-c]pyridin-4-one (PubChem CID 119091655) has the molecular formula C8H7NOS2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 7-methylsulfanyl-5H-thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name7-methylsulfanyl-5H-thieno[3,2-c]pyridin-4-one
PubChem CID119091655
Molecular FormulaC8H7NOS2
Molecular Weight197.28 g/mol
Exact Mass197.00
IUPAC Name7-methylsulfanyl-5H-thieno[3,2-c]pyridin-4-one
SMILESCSc1c[nH]c(=O)c2ccsc12
InChIInChI=1S/C8H7NOS2/c1-11-6-4-9-8(10)5-2-3-12-7(5)6/h2-4H,1H3,(H,9,10)
InChIKeyGONJITXKQIVSCW-UHFFFAOYSA-N
XLogP2.31
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methylsulfanyl-5H-thieno[3,2-c]pyridin-4-one?
The IUPAC name of 7-methylsulfanyl-5H-thieno[3,2-c]pyridin-4-one (CID 119091655) is 7-methylsulfanyl-5H-thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 7-methylsulfanyl-5H-thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 7-methylsulfanyl-5H-thieno[3,2-c]pyridin-4-one is CSc1c[nH]c(=O)c2ccsc12.
What is the InChIKey of 7-methylsulfanyl-5H-thieno[3,2-c]pyridin-4-one?
The InChIKey is GONJITXKQIVSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NOS2/c1-11-6-4-9-8(10)5-2-3-12-7(5)6/h2-4H,1H3,(H,9,10).
What are the key properties of 7-methylsulfanyl-5H-thieno[3,2-c]pyridin-4-one?
7-methylsulfanyl-5H-thieno[3,2-c]pyridin-4-one has a molecular weight of 197.28 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfanyl-5H-thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 119091655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).