3-methyl-7-methylsulfanylthieno[3,2-b]pyridine

C9H9NS2 — CID 70670025

IUPAC3-methyl-7-methylsulfanylthieno[3,2-b]pyridine
SMILESCSc1ccnc2c(C)csc12
InChIInChI=1S/C9H9NS2/c1-6-5-12-9-7(11-2)3-4-10-8(6)9/h3-5H,1-2H3
InChIKeyLKNWSMFTLVBPBS-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.33
Rot. Bonds1

About 3-methyl-7-methylsulfanylthieno[3,2-b]pyridine

3-methyl-7-methylsulfanylthieno[3,2-b]pyridine (PubChem CID 70670025) has the molecular formula C9H9NS2 and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-methyl-7-methylsulfanylthieno[3,2-b]pyridine.

Molecular Properties

Compound Name3-methyl-7-methylsulfanylthieno[3,2-b]pyridine
PubChem CID70670025
Molecular FormulaC9H9NS2
Molecular Weight195.31 g/mol
Exact Mass195.02
IUPAC Name3-methyl-7-methylsulfanylthieno[3,2-b]pyridine
SMILESCSc1ccnc2c(C)csc12
InChIInChI=1S/C9H9NS2/c1-6-5-12-9-7(11-2)3-4-10-8(6)9/h3-5H,1-2H3
InChIKeyLKNWSMFTLVBPBS-UHFFFAOYSA-N
XLogP3.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-methylsulfanylthieno[3,2-b]pyridine?
The IUPAC name of 3-methyl-7-methylsulfanylthieno[3,2-b]pyridine (CID 70670025) is 3-methyl-7-methylsulfanylthieno[3,2-b]pyridine.
What is the SMILES notation for 3-methyl-7-methylsulfanylthieno[3,2-b]pyridine?
The canonical SMILES for 3-methyl-7-methylsulfanylthieno[3,2-b]pyridine is CSc1ccnc2c(C)csc12.
What is the InChIKey of 3-methyl-7-methylsulfanylthieno[3,2-b]pyridine?
The InChIKey is LKNWSMFTLVBPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NS2/c1-6-5-12-9-7(11-2)3-4-10-8(6)9/h3-5H,1-2H3.
What are the key properties of 3-methyl-7-methylsulfanylthieno[3,2-b]pyridine?
3-methyl-7-methylsulfanylthieno[3,2-b]pyridine has a molecular weight of 195.31 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-methylsulfanylthieno[3,2-b]pyridine is sourced from PubChem (CID 70670025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).