5-sulfanyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione

C7H7NS4 — CID 155596285

IUPAC5-sulfanyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
SMILESS=C1C=C2SCCC2C(=S)N1S
InChIInChI=1S/C7H7NS4/c9-6-3-5-4(1-2-12-5)7(10)8(6)11/h3-4,11H,1-2H2
InChIKeyUJOKCLGEFCEPOG-UHFFFAOYSA-N
MW233.41 g/mol
LogP2.44
Rot. Bonds

About 5-sulfanyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione

5-sulfanyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione (PubChem CID 155596285) has the molecular formula C7H7NS4 and a molecular weight of 233.41 g/mol. Its IUPAC name is 5-sulfanyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione.

Molecular Properties

Compound Name5-sulfanyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
PubChem CID155596285
Molecular FormulaC7H7NS4
Molecular Weight233.41 g/mol
Exact Mass232.95
IUPAC Name5-sulfanyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
SMILESS=C1C=C2SCCC2C(=S)N1S
InChIInChI=1S/C7H7NS4/c9-6-3-5-4(1-2-12-5)7(10)8(6)11/h3-4,11H,1-2H2
InChIKeyUJOKCLGEFCEPOG-UHFFFAOYSA-N
XLogP2.44
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 5-sulfanyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-sulfanyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
The IUPAC name of 5-sulfanyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione (CID 155596285) is 5-sulfanyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione.
What is the SMILES notation for 5-sulfanyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
The canonical SMILES for 5-sulfanyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione is S=C1C=C2SCCC2C(=S)N1S.
What is the InChIKey of 5-sulfanyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
The InChIKey is UJOKCLGEFCEPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NS4/c9-6-3-5-4(1-2-12-5)7(10)8(6)11/h3-4,11H,1-2H2.
What are the key properties of 5-sulfanyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
5-sulfanyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione has a molecular weight of 233.41 g/mol, XLogP of 2.44, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-sulfanyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione is sourced from PubChem (CID 155596285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).