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

C7H7NS3 — CID 87430206

IUPAC3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
SMILESS=C1C=C2SCCC2C(=S)N1
InChIInChI=1S/C7H7NS3/c9-6-3-5-4(1-2-11-5)7(10)8-6/h3-4H,1-2H2,(H,8,9,10)
InChIKeyYDJQUKOREQIYGD-UHFFFAOYSA-N
MW201.34 g/mol
LogP1.88
Rot. Bonds

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

3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione (PubChem CID 87430206) has the molecular formula C7H7NS3 and a molecular weight of 201.34 g/mol. Its IUPAC name is 3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione.

Molecular Properties

Compound Name3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
PubChem CID87430206
Molecular FormulaC7H7NS3
Molecular Weight201.34 g/mol
Exact Mass200.97
IUPAC Name3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
SMILESS=C1C=C2SCCC2C(=S)N1
InChIInChI=1S/C7H7NS3/c9-6-3-5-4(1-2-11-5)7(10)8-6/h3-4H,1-2H2,(H,8,9,10)
InChIKeyYDJQUKOREQIYGD-UHFFFAOYSA-N
XLogP1.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
The IUPAC name of 3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione (CID 87430206) is 3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione.
What is the SMILES notation for 3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
The canonical SMILES for 3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione is S=C1C=C2SCCC2C(=S)N1.
What is the InChIKey of 3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
The InChIKey is YDJQUKOREQIYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NS3/c9-6-3-5-4(1-2-11-5)7(10)8-6/h3-4H,1-2H2,(H,8,9,10).
What are the key properties of 3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione has a molecular weight of 201.34 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione is sourced from PubChem (CID 87430206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).