5-[5-[3-[4-[[4,6-bis(sulfanylidene)-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl]methyl]-4-methylhexyl]sulfinylpropylsulfinyl]-2,2-dimethylpentyl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione

C32H48N2O2S8 — CID 142135537

About 5-[5-[3-[4-[[4,6-bis(sulfanylidene)-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl]methyl]-4-methylhexyl]sulfinylpropylsulfinyl]-2,2-dimethylpentyl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione

5-[5-[3-[4-[[4,6-bis(sulfanylidene)-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl]methyl]-4-methylhexyl]sulfinylpropylsulfinyl]-2,2-dimethylpentyl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione (PubChem CID 142135537) has the molecular formula C32H48N2O2S8 and a molecular weight of 749.28 g/mol. Its IUPAC name is 5-[5-[3-[4-[[4,6-bis(sulfanylidene)-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl]methyl]-4-methylhexyl]sulfinylpropylsulfinyl]-2,2-dimethylpentyl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione.

Molecular Properties

• Compound Name: 5-[5-[3-[4-[[4,6-bis(sulfanylidene)-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl]methyl]-4-methylhexyl]sulfinylpropylsulfinyl]-2,2-dimethylpentyl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
• PubChem CID: 142135537
• Molecular Formula: C32H48N2O2S8
• Molecular Weight: 749.28 g/mol
• Exact Mass: 748.15
• IUPAC Name: 5-[5-[3-[4-[[4,6-bis(sulfanylidene)-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl]methyl]-4-methylhexyl]sulfinylpropylsulfinyl]-2,2-dimethylpentyl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
• SMILES: CCC(C)(CCCS(=O)CCCS(=O)CCCC(C)(C)CN1C(=S)C=C2SCCC2C1=S)CN1C(=S)C=C2SCCC2C1=S
• InChI: InChI=1S/C32H48N2O2S8/c1-5-32(4,22-34-28(38)20-26-24(30(34)40)10-14-42-26)12-7-16-44(36)18-8-17-43(35)15-6-11-31(2,3)21-33-27(37)19-25-23(29(33)39)9-13-41-25/h19-20,23-24H,5-18,21-22H2,1-4H3
• InChIKey: HBWRGJHKEQOVOX-UHFFFAOYSA-N
• XLogP: 8.09
• TPSA: 40.62 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 17
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	749.28
LogP ≤ 5	8.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 5-[5-[3-[4-[[4,6-bis(sulfanylidene)-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl]methyl]-4-methylhexyl]sulfinylpropylsulfinyl]-2,2-dimethylpentyl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione (CID 142135537) is 5-[5-[3-[4-[[4,6-bis(sulfanylidene)-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl]methyl]-4-methylhexyl]sulfinylpropylsulfinyl]-2,2-dimethylpentyl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione.

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

The canonical SMILES for 5-[5-[3-[4-[[4,6-bis(sulfanylidene)-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl]methyl]-4-methylhexyl]sulfinylpropylsulfinyl]-2,2-dimethylpentyl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione is CCC(C)(CCCS(=O)CCCS(=O)CCCC(C)(C)CN1C(=S)C=C2SCCC2C1=S)CN1C(=S)C=C2SCCC2C1=S.

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

The InChIKey is HBWRGJHKEQOVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48N2O2S8/c1-5-32(4,22-34-28(38)20-26-24(30(34)40)10-14-42-26)12-7-16-44(36)18-8-17-43(35)15-6-11-31(2,3)21-33-27(37)19-25-23(29(33)39)9-13-41-25/h19-20,23-24H,5-18,21-22H2,1-4H3.

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

5-[5-[3-[4-[[4,6-bis(sulfanylidene)-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl]methyl]-4-methylhexyl]sulfinylpropylsulfinyl]-2,2-dimethylpentyl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione has a molecular weight of 749.28 g/mol, XLogP of 8.09, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[3-[4-[[4,6-bis(sulfanylidene)-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl]methyl]-4-methylhexyl]sulfinylpropylsulfinyl]-2,2-dimethylpentyl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione is sourced from PubChem (CID 142135537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).