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

C8H9NS3 — CID 22085288

IUPAC5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
SMILESCN1C(=S)C=C2SCCC2C1=S
InChIInChI=1S/C8H9NS3/c1-9-7(10)4-6-5(8(9)11)2-3-12-6/h4-5H,2-3H2,1H3
InChIKeyDBMHXGIMODDVEH-UHFFFAOYSA-N
MW215.37 g/mol
LogP2.22
Rot. Bonds

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

5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione (PubChem CID 22085288) has the molecular formula C8H9NS3 and a molecular weight of 215.37 g/mol. Its IUPAC name is 5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione.

Molecular Properties

Compound Name5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
PubChem CID22085288
Molecular FormulaC8H9NS3
Molecular Weight215.37 g/mol
Exact Mass214.99
IUPAC Name5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
SMILESCN1C(=S)C=C2SCCC2C1=S
InChIInChI=1S/C8H9NS3/c1-9-7(10)4-6-5(8(9)11)2-3-12-6/h4-5H,2-3H2,1H3
InChIKeyDBMHXGIMODDVEH-UHFFFAOYSA-N
XLogP2.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.37
LogP ≤ 52.22
H-Bond Donors ≤ 50
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 5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
The IUPAC name of 5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione (CID 22085288) is 5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione.
What is the SMILES notation for 5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
The canonical SMILES for 5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione is CN1C(=S)C=C2SCCC2C1=S.
What is the InChIKey of 5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
The InChIKey is DBMHXGIMODDVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS3/c1-9-7(10)4-6-5(8(9)11)2-3-12-6/h4-5H,2-3H2,1H3.
What are the key properties of 5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione has a molecular weight of 215.37 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione is sourced from PubChem (CID 22085288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).