1-oxo-3,4-dihydro-2H-thieno[3,2-b]pyridine-7-thione

C7H7NOS2 — CID 171501237

IUPAC1-oxo-3,4-dihydro-2H-thieno[3,2-b]pyridine-7-thione
SMILESO=S1CCc2[nH]ccc(=S)c21
InChIInChI=1S/C7H7NOS2/c9-11-4-2-5-7(11)6(10)1-3-8-5/h1,3H,2,4H2,(H,8,10)
InChIKeyQNVLSBKBWVYMMU-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.41
Rot. Bonds

About 1-oxo-3,4-dihydro-2H-thieno[3,2-b]pyridine-7-thione

1-oxo-3,4-dihydro-2H-thieno[3,2-b]pyridine-7-thione (PubChem CID 171501237) has the molecular formula C7H7NOS2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-oxo-3,4-dihydro-2H-thieno[3,2-b]pyridine-7-thione.

Molecular Properties

Compound Name1-oxo-3,4-dihydro-2H-thieno[3,2-b]pyridine-7-thione
PubChem CID171501237
Molecular FormulaC7H7NOS2
Molecular Weight185.27 g/mol
Exact Mass185.00
IUPAC Name1-oxo-3,4-dihydro-2H-thieno[3,2-b]pyridine-7-thione
SMILESO=S1CCc2[nH]ccc(=S)c21
InChIInChI=1S/C7H7NOS2/c9-11-4-2-5-7(11)6(10)1-3-8-5/h1,3H,2,4H2,(H,8,10)
InChIKeyQNVLSBKBWVYMMU-UHFFFAOYSA-N
XLogP1.41
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,4,7-Tetrahydrothieno[3,2-b]pyridine
CID 142034850

Frequently Asked Questions

What is the IUPAC name of 1-oxo-3,4-dihydro-2H-thieno[3,2-b]pyridine-7-thione?
The IUPAC name of 1-oxo-3,4-dihydro-2H-thieno[3,2-b]pyridine-7-thione (CID 171501237) is 1-oxo-3,4-dihydro-2H-thieno[3,2-b]pyridine-7-thione.
What is the SMILES notation for 1-oxo-3,4-dihydro-2H-thieno[3,2-b]pyridine-7-thione?
The canonical SMILES for 1-oxo-3,4-dihydro-2H-thieno[3,2-b]pyridine-7-thione is O=S1CCc2[nH]ccc(=S)c21.
What is the InChIKey of 1-oxo-3,4-dihydro-2H-thieno[3,2-b]pyridine-7-thione?
The InChIKey is QNVLSBKBWVYMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NOS2/c9-11-4-2-5-7(11)6(10)1-3-8-5/h1,3H,2,4H2,(H,8,10).
What are the key properties of 1-oxo-3,4-dihydro-2H-thieno[3,2-b]pyridine-7-thione?
1-oxo-3,4-dihydro-2H-thieno[3,2-b]pyridine-7-thione has a molecular weight of 185.27 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-3,4-dihydro-2H-thieno[3,2-b]pyridine-7-thione is sourced from PubChem (CID 171501237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).