5H-thieno[3,2-c]pyridine 1-oxide

C7H6NOS- — CID 123746872

IUPAC5H-thieno[3,2-c]pyridine 1-oxide
SMILESO=[S-]1=C2C=CNC=C2C=C1
InChIInChI=1S/C7H6NOS/c9-10-4-2-6-5-8-3-1-7(6)10/h1-5,8H/q-1
InChIKeyXMHZEETWHRCAKP-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.65
Rot. Bonds

About 5H-thieno[3,2-c]pyridine 1-oxide

5H-thieno[3,2-c]pyridine 1-oxide (PubChem CID 123746872) has the molecular formula C7H6NOS- and a molecular weight of 152.20 g/mol. Its IUPAC name is 5H-thieno[3,2-c]pyridine 1-oxide.

Molecular Properties

Compound Name5H-thieno[3,2-c]pyridine 1-oxide
PubChem CID123746872
Molecular FormulaC7H6NOS-
Molecular Weight152.20 g/mol
Exact Mass152.02
IUPAC Name5H-thieno[3,2-c]pyridine 1-oxide
SMILESO=[S-]1=C2C=CNC=C2C=C1
InChIInChI=1S/C7H6NOS/c9-10-4-2-6-5-8-3-1-7(6)10/h1-5,8H/q-1
InChIKeyXMHZEETWHRCAKP-UHFFFAOYSA-N
XLogP0.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'thio_dibenzo(23)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

5,7a-Dihydrothieno[3,2-c]pyridine
CID 91319826
6H-thieno[2,3-c]pyridine 1-oxide
CID 123884360
4,7-Dihydrothieno[2,3-b]pyridine 1-oxide
CID 140975134
6H-dithiolo[3,4-c]pyridine
CID 142421417
4,7-dihydro-3H-dithiolo[3,4-b]pyridine
CID 169224140

Frequently Asked Questions

What is the IUPAC name of 5H-thieno[3,2-c]pyridine 1-oxide?
The IUPAC name of 5H-thieno[3,2-c]pyridine 1-oxide (CID 123746872) is 5H-thieno[3,2-c]pyridine 1-oxide.
What is the SMILES notation for 5H-thieno[3,2-c]pyridine 1-oxide?
The canonical SMILES for 5H-thieno[3,2-c]pyridine 1-oxide is O=[S-]1=C2C=CNC=C2C=C1.
What is the InChIKey of 5H-thieno[3,2-c]pyridine 1-oxide?
The InChIKey is XMHZEETWHRCAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6NOS/c9-10-4-2-6-5-8-3-1-7(6)10/h1-5,8H/q-1.
What are the key properties of 5H-thieno[3,2-c]pyridine 1-oxide?
5H-thieno[3,2-c]pyridine 1-oxide has a molecular weight of 152.20 g/mol, XLogP of 0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-thieno[3,2-c]pyridine 1-oxide is sourced from PubChem (CID 123746872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).