2-[4-[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole

C16H14S12 — CID 15494554

IUPAC2-[4-[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole
SMILESCSC1=C(SC)SC(=C2SC=C(C3=CSC(=C4SC(SC)=C(SC)S4)S3)S2)S1
InChIInChI=1S/C16H14S12/c1-17-9-10(18-2)26-15(25-9)13-21-5-7(23-13)8-6-22-14(24-8)16-27-11(19-3)12(20-4)28-16/h5-6H,1-4H3
InChIKeyMTJDHBWWBBJGBK-UHFFFAOYSA-N
MW591.09 g/mol
LogP10.55
Rot. Bonds5

About 2-[4-[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole

2-[4-[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole (PubChem CID 15494554) has the molecular formula C16H14S12 and a molecular weight of 591.09 g/mol. Its IUPAC name is 2-[4-[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole.

Molecular Properties

Compound Name2-[4-[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole
PubChem CID15494554
Molecular FormulaC16H14S12
Molecular Weight591.09 g/mol
Exact Mass589.77
IUPAC Name2-[4-[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole
SMILESCSC1=C(SC)SC(=C2SC=C(C3=CSC(=C4SC(SC)=C(SC)S4)S3)S2)S1
InChIInChI=1S/C16H14S12/c1-17-9-10(18-2)26-15(25-9)13-21-5-7(23-13)8-6-22-14(24-8)16-27-11(19-3)12(20-4)28-16/h5-6H,1-4H3
InChIKeyMTJDHBWWBBJGBK-UHFFFAOYSA-N
XLogP10.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500591.09
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[4-[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole 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-[4-[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole?
The IUPAC name of 2-[4-[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole (CID 15494554) is 2-[4-[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole.
What is the SMILES notation for 2-[4-[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole?
The canonical SMILES for 2-[4-[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole is CSC1=C(SC)SC(=C2SC=C(C3=CSC(=C4SC(SC)=C(SC)S4)S3)S2)S1.
What is the InChIKey of 2-[4-[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole?
The InChIKey is MTJDHBWWBBJGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14S12/c1-17-9-10(18-2)26-15(25-9)13-21-5-7(23-13)8-6-22-14(24-8)16-27-11(19-3)12(20-4)28-16/h5-6H,1-4H3.
What are the key properties of 2-[4-[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole?
2-[4-[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole has a molecular weight of 591.09 g/mol, XLogP of 10.55, 5 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole is sourced from PubChem (CID 15494554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).