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

C10H11NS3 — CID 155596461

IUPAC5-cyclopropyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
SMILESS=C1C=C2SCCC2C(=S)N1C1CC1
InChIInChI=1S/C10H11NS3/c12-9-5-8-7(3-4-14-8)10(13)11(9)6-1-2-6/h5-7H,1-4H2
InChIKeyUZVCUPPIUHVUIP-UHFFFAOYSA-N
MW241.41 g/mol
LogP2.76
Rot. Bonds1

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

5-cyclopropyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione (PubChem CID 155596461) has the molecular formula C10H11NS3 and a molecular weight of 241.41 g/mol. Its IUPAC name is 5-cyclopropyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione.

Molecular Properties

Compound Name5-cyclopropyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
PubChem CID155596461
Molecular FormulaC10H11NS3
Molecular Weight241.41 g/mol
Exact Mass241.01
IUPAC Name5-cyclopropyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
SMILESS=C1C=C2SCCC2C(=S)N1C1CC1
InChIInChI=1S/C10H11NS3/c12-9-5-8-7(3-4-14-8)10(13)11(9)6-1-2-6/h5-7H,1-4H2
InChIKeyUZVCUPPIUHVUIP-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.41
LogP ≤ 52.76
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-cyclopropyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
The IUPAC name of 5-cyclopropyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione (CID 155596461) is 5-cyclopropyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione.
What is the SMILES notation for 5-cyclopropyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
The canonical SMILES for 5-cyclopropyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione is S=C1C=C2SCCC2C(=S)N1C1CC1.
What is the InChIKey of 5-cyclopropyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
The InChIKey is UZVCUPPIUHVUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS3/c12-9-5-8-7(3-4-14-8)10(13)11(9)6-1-2-6/h5-7H,1-4H2.
What are the key properties of 5-cyclopropyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
5-cyclopropyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione has a molecular weight of 241.41 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione is sourced from PubChem (CID 155596461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).