3-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbaldehyde

C9H11NOS — CID 88974603

IUPAC3-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbaldehyde
SMILESCc1c(C=O)sc2c1CNCC2
InChIInChI=1S/C9H11NOS/c1-6-7-4-10-3-2-8(7)12-9(6)5-11/h5,10H,2-4H2,1H3
InChIKeyWIEPCQHFJBRPBP-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.51
Rot. Bonds1

About 3-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbaldehyde

3-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbaldehyde (PubChem CID 88974603) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is 3-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbaldehyde
PubChem CID88974603
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name3-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbaldehyde
SMILESCc1c(C=O)sc2c1CNCC2
InChIInChI=1S/C9H11NOS/c1-6-7-4-10-3-2-8(7)12-9(6)5-11/h5,10H,2-4H2,1H3
InChIKeyWIEPCQHFJBRPBP-UHFFFAOYSA-N
XLogP1.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbaldehyde?
The IUPAC name of 3-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbaldehyde (CID 88974603) is 3-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbaldehyde.
What is the SMILES notation for 3-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbaldehyde?
The canonical SMILES for 3-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbaldehyde is Cc1c(C=O)sc2c1CNCC2.
What is the InChIKey of 3-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbaldehyde?
The InChIKey is WIEPCQHFJBRPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c1-6-7-4-10-3-2-8(7)12-9(6)5-11/h5,10H,2-4H2,1H3.
What are the key properties of 3-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbaldehyde?
3-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbaldehyde has a molecular weight of 181.26 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbaldehyde is sourced from PubChem (CID 88974603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).