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

C10H13NS3 — CID 89313632

IUPAC5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
SMILESCC(C)N1C(=S)C=C2SCCC2C1=S
InChIInChI=1S/C10H13NS3/c1-6(2)11-9(12)5-8-7(10(11)13)3-4-14-8/h5-7H,3-4H2,1-2H3
InChIKeySFVDLTQVQYQHMS-UHFFFAOYSA-N
MW243.42 g/mol
LogP3.00
Rot. Bonds1

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

5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione (PubChem CID 89313632) has the molecular formula C10H13NS3 and a molecular weight of 243.42 g/mol. Its IUPAC name is 5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione.

Molecular Properties

Compound Name5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
PubChem CID89313632
Molecular FormulaC10H13NS3
Molecular Weight243.42 g/mol
Exact Mass243.02
IUPAC Name5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
SMILESCC(C)N1C(=S)C=C2SCCC2C1=S
InChIInChI=1S/C10H13NS3/c1-6(2)11-9(12)5-8-7(10(11)13)3-4-14-8/h5-7H,3-4H2,1-2H3
InChIKeySFVDLTQVQYQHMS-UHFFFAOYSA-N
XLogP3.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-propan-2-yl-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-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
The IUPAC name of 5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione (CID 89313632) is 5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione.
What is the SMILES notation for 5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
The canonical SMILES for 5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione is CC(C)N1C(=S)C=C2SCCC2C1=S.
What is the InChIKey of 5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
The InChIKey is SFVDLTQVQYQHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS3/c1-6(2)11-9(12)5-8-7(10(11)13)3-4-14-8/h5-7H,3-4H2,1-2H3.
What are the key properties of 5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione has a molecular weight of 243.42 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione is sourced from PubChem (CID 89313632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).