2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiole-4,5-dicarboxylic acid

C10H6O4S6 — CID 15743649

IUPAC2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiole-4,5-dicarboxylic acid
SMILESO=C(O)C1=C(C(=O)O)SC(=C2SC3=C(SCCS3)S2)S1
InChIInChI=1S/C10H6O4S6/c11-5(12)3-4(6(13)14)18-9(17-3)10-19-7-8(20-10)16-2-1-15-7/h1-2H2,(H,11,12)(H,13,14)
InChIKeyUKBKJHLQCQRPBM-UHFFFAOYSA-N
MW382.56 g/mol
LogP4.06
Rot. Bonds2

About 2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiole-4,5-dicarboxylic acid

2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiole-4,5-dicarboxylic acid (PubChem CID 15743649) has the molecular formula C10H6O4S6 and a molecular weight of 382.56 g/mol. Its IUPAC name is 2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiole-4,5-dicarboxylic acid.

Molecular Properties

Compound Name2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiole-4,5-dicarboxylic acid
PubChem CID15743649
Molecular FormulaC10H6O4S6
Molecular Weight382.56 g/mol
Exact Mass381.86
IUPAC Name2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiole-4,5-dicarboxylic acid
SMILESO=C(O)C1=C(C(=O)O)SC(=C2SC3=C(SCCS3)S2)S1
InChIInChI=1S/C10H6O4S6/c11-5(12)3-4(6(13)14)18-9(17-3)10-19-7-8(20-10)16-2-1-15-7/h1-2H2,(H,11,12)(H,13,14)
InChIKeyUKBKJHLQCQRPBM-UHFFFAOYSA-N
XLogP4.06
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.56
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiole-4,5-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2H-1,3-Dithiol-2-ylidene)-2H-1,3-dithiole-4,5-dicarboxylic acid
CID 19875612
2-(4,5-Dicarboxy-1,3-dithiol-2-yl)-1,3-dithiole-4,5-dicarboxylic acid
CID 129190532
2-[4,5-Bis(propylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiole-4,5-dicarboxylic acid
CID 132531307

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiole-4,5-dicarboxylic acid?
The IUPAC name of 2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiole-4,5-dicarboxylic acid (CID 15743649) is 2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiole-4,5-dicarboxylic acid.
What is the SMILES notation for 2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiole-4,5-dicarboxylic acid?
The canonical SMILES for 2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiole-4,5-dicarboxylic acid is O=C(O)C1=C(C(=O)O)SC(=C2SC3=C(SCCS3)S2)S1.
What is the InChIKey of 2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiole-4,5-dicarboxylic acid?
The InChIKey is UKBKJHLQCQRPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O4S6/c11-5(12)3-4(6(13)14)18-9(17-3)10-19-7-8(20-10)16-2-1-15-7/h1-2H2,(H,11,12)(H,13,14).
What are the key properties of 2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiole-4,5-dicarboxylic acid?
2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiole-4,5-dicarboxylic acid has a molecular weight of 382.56 g/mol, XLogP of 4.06, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiole-4,5-dicarboxylic acid is sourced from PubChem (CID 15743649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).