5-[4-[2-[3-[4,6-bis(sulfanylidene)-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl]-3-methylbutyl]sulfanylethylsulfanyl]-2-methylbutan-2-yl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione

C26H36N2S8 — CID 20633433

About 5-[4-[2-[3-[4,6-bis(sulfanylidene)-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl]-3-methylbutyl]sulfanylethylsulfanyl]-2-methylbutan-2-yl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione

5-[4-[2-[3-[4,6-bis(sulfanylidene)-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl]-3-methylbutyl]sulfanylethylsulfanyl]-2-methylbutan-2-yl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione (PubChem CID 20633433) has the molecular formula C26H36N2S8 and a molecular weight of 633.12 g/mol. Its IUPAC name is 5-[4-[2-[3-[4,6-bis(sulfanylidene)-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl]-3-methylbutyl]sulfanylethylsulfanyl]-2-methylbutan-2-yl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione.

Molecular Properties

• Compound Name: 5-[4-[2-[3-[4,6-bis(sulfanylidene)-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl]-3-methylbutyl]sulfanylethylsulfanyl]-2-methylbutan-2-yl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
• PubChem CID: 20633433
• Molecular Formula: C26H36N2S8
• Molecular Weight: 633.12 g/mol
• Exact Mass: 632.06
• IUPAC Name: 5-[4-[2-[3-[4,6-bis(sulfanylidene)-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl]-3-methylbutyl]sulfanylethylsulfanyl]-2-methylbutan-2-yl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
• SMILES: CC(C)(CCSCCSCCC(C)(C)N1C(=S)C=C2SCCC2C1=S)N1C(=S)C=C2SCCC2C1=S
• InChI: InChI=1S/C26H36N2S8/c1-25(2,27-21(29)15-19-17(23(27)31)5-9-35-19)7-11-33-13-14-34-12-8-26(3,4)28-22(30)16-20-18(24(28)32)6-10-36-20/h15-18H,5-14H2,1-4H3
• InChIKey: HACIYSPBOLIJRS-UHFFFAOYSA-N
• XLogP: 8.01
• TPSA: 6.48 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	633.12
LogP ≤ 5	8.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-[3-[4,6-bis(sulfanylidene)-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl]-3-methylbutyl]sulfanylethylsulfanyl]-2-methylbutan-2-yl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?

The IUPAC name of 5-[4-[2-[3-[4,6-bis(sulfanylidene)-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl]-3-methylbutyl]sulfanylethylsulfanyl]-2-methylbutan-2-yl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione (CID 20633433) is 5-[4-[2-[3-[4,6-bis(sulfanylidene)-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl]-3-methylbutyl]sulfanylethylsulfanyl]-2-methylbutan-2-yl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione.

What is the SMILES notation for 5-[4-[2-[3-[4,6-bis(sulfanylidene)-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl]-3-methylbutyl]sulfanylethylsulfanyl]-2-methylbutan-2-yl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?

The canonical SMILES for 5-[4-[2-[3-[4,6-bis(sulfanylidene)-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl]-3-methylbutyl]sulfanylethylsulfanyl]-2-methylbutan-2-yl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione is CC(C)(CCSCCSCCC(C)(C)N1C(=S)C=C2SCCC2C1=S)N1C(=S)C=C2SCCC2C1=S.

What is the InChIKey of 5-[4-[2-[3-[4,6-bis(sulfanylidene)-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl]-3-methylbutyl]sulfanylethylsulfanyl]-2-methylbutan-2-yl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?

The InChIKey is HACIYSPBOLIJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2S8/c1-25(2,27-21(29)15-19-17(23(27)31)5-9-35-19)7-11-33-13-14-34-12-8-26(3,4)28-22(30)16-20-18(24(28)32)6-10-36-20/h15-18H,5-14H2,1-4H3.

What are the key properties of 5-[4-[2-[3-[4,6-bis(sulfanylidene)-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl]-3-methylbutyl]sulfanylethylsulfanyl]-2-methylbutan-2-yl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?

5-[4-[2-[3-[4,6-bis(sulfanylidene)-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl]-3-methylbutyl]sulfanylethylsulfanyl]-2-methylbutan-2-yl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione has a molecular weight of 633.12 g/mol, XLogP of 8.01, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[2-[3-[4,6-bis(sulfanylidene)-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl]-3-methylbutyl]sulfanylethylsulfanyl]-2-methylbutan-2-yl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione is sourced from PubChem (CID 20633433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).