5H-thieno[3,2-c]pyridine-4-thione

C7H5NS2 — CID 57450176

IUPAC5H-thieno[3,2-c]pyridine-4-thione
SMILESS=c1[nH]ccc2sccc12
InChIInChI=1S/C7H5NS2/c9-7-5-2-4-10-6(5)1-3-8-7/h1-4H,(H,8,9)
InChIKeyAJDDFMKHTKMXQV-UHFFFAOYSA-N
MW167.26 g/mol
LogP2.96
Rot. Bonds

About 5H-thieno[3,2-c]pyridine-4-thione

5H-thieno[3,2-c]pyridine-4-thione (PubChem CID 57450176) has the molecular formula C7H5NS2 and a molecular weight of 167.26 g/mol. Its IUPAC name is 5H-thieno[3,2-c]pyridine-4-thione.

Molecular Properties

Compound Name5H-thieno[3,2-c]pyridine-4-thione
PubChem CID57450176
Molecular FormulaC7H5NS2
Molecular Weight167.26 g/mol
Exact Mass166.99
IUPAC Name5H-thieno[3,2-c]pyridine-4-thione
SMILESS=c1[nH]ccc2sccc12
InChIInChI=1S/C7H5NS2/c9-7-5-2-4-10-6(5)1-3-8-7/h1-4H,(H,8,9)
InChIKeyAJDDFMKHTKMXQV-UHFFFAOYSA-N
XLogP2.96
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5H-thieno[3,2-c]pyridine-4-thione?
The IUPAC name of 5H-thieno[3,2-c]pyridine-4-thione (CID 57450176) is 5H-thieno[3,2-c]pyridine-4-thione.
What is the SMILES notation for 5H-thieno[3,2-c]pyridine-4-thione?
The canonical SMILES for 5H-thieno[3,2-c]pyridine-4-thione is S=c1[nH]ccc2sccc12.
What is the InChIKey of 5H-thieno[3,2-c]pyridine-4-thione?
The InChIKey is AJDDFMKHTKMXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NS2/c9-7-5-2-4-10-6(5)1-3-8-7/h1-4H,(H,8,9).
What are the key properties of 5H-thieno[3,2-c]pyridine-4-thione?
5H-thieno[3,2-c]pyridine-4-thione has a molecular weight of 167.26 g/mol, XLogP of 2.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-thieno[3,2-c]pyridine-4-thione is sourced from PubChem (CID 57450176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).