3,4-dimethyl-6,7-dihydrothieno[3,2-c]pyridine

C9H11NS — CID 59663081

IUPAC3,4-dimethyl-6,7-dihydrothieno[3,2-c]pyridine
SMILESCC1=NCCc2scc(C)c21
InChIInChI=1S/C9H11NS/c1-6-5-11-8-3-4-10-7(2)9(6)8/h5H,3-4H2,1-2H3
InChIKeyZYPHNLYSSJVLEN-UHFFFAOYSA-N
MW165.26 g/mol
LogP2.42
Rot. Bonds

About 3,4-dimethyl-6,7-dihydrothieno[3,2-c]pyridine

3,4-dimethyl-6,7-dihydrothieno[3,2-c]pyridine (PubChem CID 59663081) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is 3,4-dimethyl-6,7-dihydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name3,4-dimethyl-6,7-dihydrothieno[3,2-c]pyridine
PubChem CID59663081
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name3,4-dimethyl-6,7-dihydrothieno[3,2-c]pyridine
SMILESCC1=NCCc2scc(C)c21
InChIInChI=1S/C9H11NS/c1-6-5-11-8-3-4-10-7(2)9(6)8/h5H,3-4H2,1-2H3
InChIKeyZYPHNLYSSJVLEN-UHFFFAOYSA-N
XLogP2.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-6,7-dihydrothieno[3,2-c]pyridine?
The IUPAC name of 3,4-dimethyl-6,7-dihydrothieno[3,2-c]pyridine (CID 59663081) is 3,4-dimethyl-6,7-dihydrothieno[3,2-c]pyridine.
What is the SMILES notation for 3,4-dimethyl-6,7-dihydrothieno[3,2-c]pyridine?
The canonical SMILES for 3,4-dimethyl-6,7-dihydrothieno[3,2-c]pyridine is CC1=NCCc2scc(C)c21.
What is the InChIKey of 3,4-dimethyl-6,7-dihydrothieno[3,2-c]pyridine?
The InChIKey is ZYPHNLYSSJVLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS/c1-6-5-11-8-3-4-10-7(2)9(6)8/h5H,3-4H2,1-2H3.
What are the key properties of 3,4-dimethyl-6,7-dihydrothieno[3,2-c]pyridine?
3,4-dimethyl-6,7-dihydrothieno[3,2-c]pyridine has a molecular weight of 165.26 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-6,7-dihydrothieno[3,2-c]pyridine is sourced from PubChem (CID 59663081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).