2-propan-2-ylsulfanylthieno[3,2-b]pyridine

C10H11NS2 — CID 163499277

IUPAC2-propan-2-ylsulfanylthieno[3,2-b]pyridine
SMILESCC(C)Sc1cc2ncccc2s1
InChIInChI=1S/C10H11NS2/c1-7(2)12-10-6-8-9(13-10)4-3-5-11-8/h3-7H,1-2H3
InChIKeyCTIFOVYKGNTKEU-UHFFFAOYSA-N
MW209.34 g/mol
LogP3.80
Rot. Bonds2

About 2-propan-2-ylsulfanylthieno[3,2-b]pyridine

2-propan-2-ylsulfanylthieno[3,2-b]pyridine (PubChem CID 163499277) has the molecular formula C10H11NS2 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-propan-2-ylsulfanylthieno[3,2-b]pyridine.

Molecular Properties

Compound Name2-propan-2-ylsulfanylthieno[3,2-b]pyridine
PubChem CID163499277
Molecular FormulaC10H11NS2
Molecular Weight209.34 g/mol
Exact Mass209.03
IUPAC Name2-propan-2-ylsulfanylthieno[3,2-b]pyridine
SMILESCC(C)Sc1cc2ncccc2s1
InChIInChI=1S/C10H11NS2/c1-7(2)12-10-6-8-9(13-10)4-3-5-11-8/h3-7H,1-2H3
InChIKeyCTIFOVYKGNTKEU-UHFFFAOYSA-N
XLogP3.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfanylthieno[3,2-b]pyridine?
The IUPAC name of 2-propan-2-ylsulfanylthieno[3,2-b]pyridine (CID 163499277) is 2-propan-2-ylsulfanylthieno[3,2-b]pyridine.
What is the SMILES notation for 2-propan-2-ylsulfanylthieno[3,2-b]pyridine?
The canonical SMILES for 2-propan-2-ylsulfanylthieno[3,2-b]pyridine is CC(C)Sc1cc2ncccc2s1.
What is the InChIKey of 2-propan-2-ylsulfanylthieno[3,2-b]pyridine?
The InChIKey is CTIFOVYKGNTKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS2/c1-7(2)12-10-6-8-9(13-10)4-3-5-11-8/h3-7H,1-2H3.
What are the key properties of 2-propan-2-ylsulfanylthieno[3,2-b]pyridine?
2-propan-2-ylsulfanylthieno[3,2-b]pyridine has a molecular weight of 209.34 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfanylthieno[3,2-b]pyridine is sourced from PubChem (CID 163499277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).