2-methylsulfanylthieno[3,2-b]pyridine-3-carbonitrile

C9H6N2S2 — CID 15005423

IUPAC2-methylsulfanylthieno[3,2-b]pyridine-3-carbonitrile
SMILESCSc1sc2cccnc2c1C#N
InChIInChI=1S/C9H6N2S2/c1-12-9-6(5-10)8-7(13-9)3-2-4-11-8/h2-4H,1H3
InChIKeyNTFUXHOTRGKDDW-UHFFFAOYSA-N
MW206.30 g/mol
LogP2.89
Rot. Bonds1

About 2-methylsulfanylthieno[3,2-b]pyridine-3-carbonitrile

2-methylsulfanylthieno[3,2-b]pyridine-3-carbonitrile (PubChem CID 15005423) has the molecular formula C9H6N2S2 and a molecular weight of 206.30 g/mol. Its IUPAC name is 2-methylsulfanylthieno[3,2-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methylsulfanylthieno[3,2-b]pyridine-3-carbonitrile
PubChem CID15005423
Molecular FormulaC9H6N2S2
Molecular Weight206.30 g/mol
Exact Mass206.00
IUPAC Name2-methylsulfanylthieno[3,2-b]pyridine-3-carbonitrile
SMILESCSc1sc2cccnc2c1C#N
InChIInChI=1S/C9H6N2S2/c1-12-9-6(5-10)8-7(13-9)3-2-4-11-8/h2-4H,1H3
InChIKeyNTFUXHOTRGKDDW-UHFFFAOYSA-N
XLogP2.89
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.30
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylthieno[3,2-b]pyridine-3-carbonitrile?
The IUPAC name of 2-methylsulfanylthieno[3,2-b]pyridine-3-carbonitrile (CID 15005423) is 2-methylsulfanylthieno[3,2-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-methylsulfanylthieno[3,2-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-methylsulfanylthieno[3,2-b]pyridine-3-carbonitrile is CSc1sc2cccnc2c1C#N.
What is the InChIKey of 2-methylsulfanylthieno[3,2-b]pyridine-3-carbonitrile?
The InChIKey is NTFUXHOTRGKDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2S2/c1-12-9-6(5-10)8-7(13-9)3-2-4-11-8/h2-4H,1H3.
What are the key properties of 2-methylsulfanylthieno[3,2-b]pyridine-3-carbonitrile?
2-methylsulfanylthieno[3,2-b]pyridine-3-carbonitrile has a molecular weight of 206.30 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylthieno[3,2-b]pyridine-3-carbonitrile is sourced from PubChem (CID 15005423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).