7-methyl-2,3-dihydrothieno[2,3-c]pyridine 1-oxide

C8H9NOS — CID 13433529

IUPAC7-methyl-2,3-dihydrothieno[2,3-c]pyridine 1-oxide
SMILESCc1nccc2c1S(=O)CC2
InChIInChI=1S/C8H9NOS/c1-6-8-7(2-4-9-6)3-5-11(8)10/h2,4H,3,5H2,1H3
InChIKeyKFSMDHQUZXYCMQ-UHFFFAOYSA-N
MW167.23 g/mol
LogP1.05
Rot. Bonds

About 7-methyl-2,3-dihydrothieno[2,3-c]pyridine 1-oxide

7-methyl-2,3-dihydrothieno[2,3-c]pyridine 1-oxide (PubChem CID 13433529) has the molecular formula C8H9NOS and a molecular weight of 167.23 g/mol. Its IUPAC name is 7-methyl-2,3-dihydrothieno[2,3-c]pyridine 1-oxide.

Molecular Properties

Compound Name7-methyl-2,3-dihydrothieno[2,3-c]pyridine 1-oxide
PubChem CID13433529
Molecular FormulaC8H9NOS
Molecular Weight167.23 g/mol
Exact Mass167.04
IUPAC Name7-methyl-2,3-dihydrothieno[2,3-c]pyridine 1-oxide
SMILESCc1nccc2c1S(=O)CC2
InChIInChI=1S/C8H9NOS/c1-6-8-7(2-4-9-6)3-5-11(8)10/h2,4H,3,5H2,1H3
InChIKeyKFSMDHQUZXYCMQ-UHFFFAOYSA-N
XLogP1.05
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,3-dihydrothieno[2,3-c]pyridine 1-oxide?
The IUPAC name of 7-methyl-2,3-dihydrothieno[2,3-c]pyridine 1-oxide (CID 13433529) is 7-methyl-2,3-dihydrothieno[2,3-c]pyridine 1-oxide.
What is the SMILES notation for 7-methyl-2,3-dihydrothieno[2,3-c]pyridine 1-oxide?
The canonical SMILES for 7-methyl-2,3-dihydrothieno[2,3-c]pyridine 1-oxide is Cc1nccc2c1S(=O)CC2.
What is the InChIKey of 7-methyl-2,3-dihydrothieno[2,3-c]pyridine 1-oxide?
The InChIKey is KFSMDHQUZXYCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS/c1-6-8-7(2-4-9-6)3-5-11(8)10/h2,4H,3,5H2,1H3.
What are the key properties of 7-methyl-2,3-dihydrothieno[2,3-c]pyridine 1-oxide?
7-methyl-2,3-dihydrothieno[2,3-c]pyridine 1-oxide has a molecular weight of 167.23 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,3-dihydrothieno[2,3-c]pyridine 1-oxide is sourced from PubChem (CID 13433529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).