2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-methyl-[1,3]dithiolo[4,5-b][1,4]dithiine

C11H8S8 — CID 14416877

IUPAC2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-methyl-[1,3]dithiolo[4,5-b][1,4]dithiine
SMILESCC1=CSC2=C(S1)SC(=C1SC3=C(SCCS3)S1)S2
InChIInChI=1S/C11H8S8/c1-5-4-14-8-9(15-5)19-11(18-8)10-16-6-7(17-10)13-3-2-12-6/h4H,2-3H2,1H3
InChIKeyGLVQCXPNHKNKOW-UHFFFAOYSA-N
MW396.72 g/mol
LogP7.15
Rot. Bonds

About 2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-methyl-[1,3]dithiolo[4,5-b][1,4]dithiine

2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-methyl-[1,3]dithiolo[4,5-b][1,4]dithiine (PubChem CID 14416877) has the molecular formula C11H8S8 and a molecular weight of 396.72 g/mol. Its IUPAC name is 2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-methyl-[1,3]dithiolo[4,5-b][1,4]dithiine.

Molecular Properties

Compound Name2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-methyl-[1,3]dithiolo[4,5-b][1,4]dithiine
PubChem CID14416877
Molecular FormulaC11H8S8
Molecular Weight396.72 g/mol
Exact Mass395.84
IUPAC Name2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-methyl-[1,3]dithiolo[4,5-b][1,4]dithiine
SMILESCC1=CSC2=C(S1)SC(=C1SC3=C(SCCS3)S1)S2
InChIInChI=1S/C11H8S8/c1-5-4-14-8-9(15-5)19-11(18-8)10-16-6-7(17-10)13-3-2-12-6/h4H,2-3H2,1H3
InChIKeyGLVQCXPNHKNKOW-UHFFFAOYSA-N
XLogP7.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.72
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-methyl-[1,3]dithiolo[4,5-b][1,4]dithiine?
The IUPAC name of 2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-methyl-[1,3]dithiolo[4,5-b][1,4]dithiine (CID 14416877) is 2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-methyl-[1,3]dithiolo[4,5-b][1,4]dithiine.
What is the SMILES notation for 2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-methyl-[1,3]dithiolo[4,5-b][1,4]dithiine?
The canonical SMILES for 2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-methyl-[1,3]dithiolo[4,5-b][1,4]dithiine is CC1=CSC2=C(S1)SC(=C1SC3=C(SCCS3)S1)S2.
What is the InChIKey of 2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-methyl-[1,3]dithiolo[4,5-b][1,4]dithiine?
The InChIKey is GLVQCXPNHKNKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8S8/c1-5-4-14-8-9(15-5)19-11(18-8)10-16-6-7(17-10)13-3-2-12-6/h4H,2-3H2,1H3.
What are the key properties of 2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-methyl-[1,3]dithiolo[4,5-b][1,4]dithiine?
2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-methyl-[1,3]dithiolo[4,5-b][1,4]dithiine has a molecular weight of 396.72 g/mol, XLogP of 7.15, 0 rotatable bonds, 0 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)-5-methyl-[1,3]dithiolo[4,5-b][1,4]dithiine is sourced from PubChem (CID 14416877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).