4-methylsulfanylthieno[3,2-c]pyridine

C8H7NS2 — CID 70002726

IUPAC4-methylsulfanylthieno[3,2-c]pyridine
SMILESCSc1nccc2sccc12
InChIInChI=1S/C8H7NS2/c1-10-8-6-3-5-11-7(6)2-4-9-8/h2-5H,1H3
InChIKeyPWYPAIMGTRHKLH-UHFFFAOYSA-N
MW181.28 g/mol
LogP3.02
Rot. Bonds1

About 4-methylsulfanylthieno[3,2-c]pyridine

4-methylsulfanylthieno[3,2-c]pyridine (PubChem CID 70002726) has the molecular formula C8H7NS2 and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-methylsulfanylthieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-methylsulfanylthieno[3,2-c]pyridine
PubChem CID70002726
Molecular FormulaC8H7NS2
Molecular Weight181.28 g/mol
Exact Mass181.00
IUPAC Name4-methylsulfanylthieno[3,2-c]pyridine
SMILESCSc1nccc2sccc12
InChIInChI=1S/C8H7NS2/c1-10-8-6-3-5-11-7(6)2-4-9-8/h2-5H,1H3
InChIKeyPWYPAIMGTRHKLH-UHFFFAOYSA-N
XLogP3.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanylthieno[3,2-c]pyridine?
The IUPAC name of 4-methylsulfanylthieno[3,2-c]pyridine (CID 70002726) is 4-methylsulfanylthieno[3,2-c]pyridine.
What is the SMILES notation for 4-methylsulfanylthieno[3,2-c]pyridine?
The canonical SMILES for 4-methylsulfanylthieno[3,2-c]pyridine is CSc1nccc2sccc12.
What is the InChIKey of 4-methylsulfanylthieno[3,2-c]pyridine?
The InChIKey is PWYPAIMGTRHKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NS2/c1-10-8-6-3-5-11-7(6)2-4-9-8/h2-5H,1H3.
What are the key properties of 4-methylsulfanylthieno[3,2-c]pyridine?
4-methylsulfanylthieno[3,2-c]pyridine has a molecular weight of 181.28 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanylthieno[3,2-c]pyridine is sourced from PubChem (CID 70002726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).