2-methyl-5-methylsulfanyloxythieno[3,2-b]pyridine

C9H9NOS2 — CID 142832894

IUPAC2-methyl-5-methylsulfanyloxythieno[3,2-b]pyridine
SMILESCSOc1ccc2sc(C)cc2n1
InChIInChI=1S/C9H9NOS2/c1-6-5-7-8(13-6)3-4-9(10-7)11-12-2/h3-5H,1-2H3
InChIKeyCTGWUOQICXCKST-UHFFFAOYSA-N
MW211.31 g/mol
LogP3.26
Rot. Bonds2

About 2-methyl-5-methylsulfanyloxythieno[3,2-b]pyridine

2-methyl-5-methylsulfanyloxythieno[3,2-b]pyridine (PubChem CID 142832894) has the molecular formula C9H9NOS2 and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-methyl-5-methylsulfanyloxythieno[3,2-b]pyridine.

Molecular Properties

Compound Name2-methyl-5-methylsulfanyloxythieno[3,2-b]pyridine
PubChem CID142832894
Molecular FormulaC9H9NOS2
Molecular Weight211.31 g/mol
Exact Mass211.01
IUPAC Name2-methyl-5-methylsulfanyloxythieno[3,2-b]pyridine
SMILESCSOc1ccc2sc(C)cc2n1
InChIInChI=1S/C9H9NOS2/c1-6-5-7-8(13-6)3-4-9(10-7)11-12-2/h3-5H,1-2H3
InChIKeyCTGWUOQICXCKST-UHFFFAOYSA-N
XLogP3.26
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-methyl-2-methylsulfanyl-1,3-benzothiazole
CID 10655478
2-methylsulfanyloxy-1,3-benzothiazole
CID 175220247
2-methoxy-6-methylthieno[3,2-d]pyrimidine
CID 131072143
2-methyl-5-methylsulfanyl-1,3-benzothiazole
CID 10954473
5-[(4-chlorophenyl)methyl]-2-methylthieno[3,2-b]pyridine
CID 143028655
trimethyl-(2-methyl-1-benzothiophen-5-yl)silane
CID 170780872
2-fluoro-5-methylthieno[3,2-b]pyridine
CID 15290719
2-methyl-5-(trifluoromethyl)-1-benzothiophene
CID 58242584
2-methyl-5-(2-phenoxyethyl)-1,3-benzothiazole
CID 139783415
N,N-dimethyl-2-methylsulfanyl-1,3-benzothiazol-5-amine
CID 119083600
5-ethoxy-2-methyl-1,3-benzothiazole
CID 832782
N,2-dimethylthieno[2,3-c]pyridin-7-amine
CID 143028652

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfanyloxythieno[3,2-b]pyridine?
The IUPAC name of 2-methyl-5-methylsulfanyloxythieno[3,2-b]pyridine (CID 142832894) is 2-methyl-5-methylsulfanyloxythieno[3,2-b]pyridine.
What is the SMILES notation for 2-methyl-5-methylsulfanyloxythieno[3,2-b]pyridine?
The canonical SMILES for 2-methyl-5-methylsulfanyloxythieno[3,2-b]pyridine is CSOc1ccc2sc(C)cc2n1.
What is the InChIKey of 2-methyl-5-methylsulfanyloxythieno[3,2-b]pyridine?
The InChIKey is CTGWUOQICXCKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOS2/c1-6-5-7-8(13-6)3-4-9(10-7)11-12-2/h3-5H,1-2H3.
What are the key properties of 2-methyl-5-methylsulfanyloxythieno[3,2-b]pyridine?
2-methyl-5-methylsulfanyloxythieno[3,2-b]pyridine has a molecular weight of 211.31 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfanyloxythieno[3,2-b]pyridine is sourced from PubChem (CID 142832894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).