2-[2-(1,3-benzodithiol-2-ylidene)ethylidene]-1,3-benzodithiole

C16H10S4 — CID 12847775

IUPAC2-[2-(1,3-benzodithiol-2-ylidene)ethylidene]-1,3-benzodithiole
SMILESC(C=C1Sc2ccccc2S1)=C1Sc2ccccc2S1
InChIInChI=1S/C16H10S4/c1-2-6-12-11(5-1)17-15(18-12)9-10-16-19-13-7-3-4-8-14(13)20-16/h1-10H
InChIKeyTWRMPGZRTLYUHA-UHFFFAOYSA-N
MW330.52 g/mol
LogP6.47
Rot. Bonds1

About 2-[2-(1,3-benzodithiol-2-ylidene)ethylidene]-1,3-benzodithiole

2-[2-(1,3-benzodithiol-2-ylidene)ethylidene]-1,3-benzodithiole (PubChem CID 12847775) has the molecular formula C16H10S4 and a molecular weight of 330.52 g/mol. Its IUPAC name is 2-[2-(1,3-benzodithiol-2-ylidene)ethylidene]-1,3-benzodithiole.

Molecular Properties

Compound Name2-[2-(1,3-benzodithiol-2-ylidene)ethylidene]-1,3-benzodithiole
PubChem CID12847775
Molecular FormulaC16H10S4
Molecular Weight330.52 g/mol
Exact Mass329.97
IUPAC Name2-[2-(1,3-benzodithiol-2-ylidene)ethylidene]-1,3-benzodithiole
SMILESC(C=C1Sc2ccccc2S1)=C1Sc2ccccc2S1
InChIInChI=1S/C16H10S4/c1-2-6-12-11(5-1)17-15(18-12)9-10-16-19-13-7-3-4-8-14(13)20-16/h1-10H
InChIKeyTWRMPGZRTLYUHA-UHFFFAOYSA-N
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.52
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-(1,3-benzodithiol-2-ylidene)ethylidene]-1,3-benzodithiole 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 2-[2-(1,3-benzodithiol-2-ylidene)ethylidene]-1,3-benzodithiole?
The IUPAC name of 2-[2-(1,3-benzodithiol-2-ylidene)ethylidene]-1,3-benzodithiole (CID 12847775) is 2-[2-(1,3-benzodithiol-2-ylidene)ethylidene]-1,3-benzodithiole.
What is the SMILES notation for 2-[2-(1,3-benzodithiol-2-ylidene)ethylidene]-1,3-benzodithiole?
The canonical SMILES for 2-[2-(1,3-benzodithiol-2-ylidene)ethylidene]-1,3-benzodithiole is C(C=C1Sc2ccccc2S1)=C1Sc2ccccc2S1.
What is the InChIKey of 2-[2-(1,3-benzodithiol-2-ylidene)ethylidene]-1,3-benzodithiole?
The InChIKey is TWRMPGZRTLYUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10S4/c1-2-6-12-11(5-1)17-15(18-12)9-10-16-19-13-7-3-4-8-14(13)20-16/h1-10H.
What are the key properties of 2-[2-(1,3-benzodithiol-2-ylidene)ethylidene]-1,3-benzodithiole?
2-[2-(1,3-benzodithiol-2-ylidene)ethylidene]-1,3-benzodithiole has a molecular weight of 330.52 g/mol, XLogP of 6.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-benzodithiol-2-ylidene)ethylidene]-1,3-benzodithiole is sourced from PubChem (CID 12847775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).