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

C10H12S8 — CID 633638

IUPAC2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole
SMILESCSC1=C(SC)SC(=C2SC(SC)=C(SC)S2)S1
InChIInChI=1S/C10H12S8/c1-11-5-6(12-2)16-9(15-5)10-17-7(13-3)8(14-4)18-10/h1-4H3
InChIKeyLLLXUARUONPZIY-UHFFFAOYSA-N
MW388.74 g/mol
LogP6.78
Rot. Bonds4

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

2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole (PubChem CID 633638) has the molecular formula C10H12S8 and a molecular weight of 388.74 g/mol. Its IUPAC name is 2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole.

Molecular Properties

Compound Name2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole
PubChem CID633638
Molecular FormulaC10H12S8
Molecular Weight388.74 g/mol
Exact Mass387.87
IUPAC Name2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole
SMILESCSC1=C(SC)SC(=C2SC(SC)=C(SC)S2)S1
InChIInChI=1S/C10H12S8/c1-11-5-6(12-2)16-9(15-5)10-17-7(13-3)8(14-4)18-10/h1-4H3
InChIKeyLLLXUARUONPZIY-UHFFFAOYSA-N
XLogP6.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.74
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole?
The IUPAC name of 2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole (CID 633638) is 2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole.
What is the SMILES notation for 2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole?
The canonical SMILES for 2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole is CSC1=C(SC)SC(=C2SC(SC)=C(SC)S2)S1.
What is the InChIKey of 2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole?
The InChIKey is LLLXUARUONPZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12S8/c1-11-5-6(12-2)16-9(15-5)10-17-7(13-3)8(14-4)18-10/h1-4H3.
What are the key properties of 2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole?
2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole has a molecular weight of 388.74 g/mol, XLogP of 6.78, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole is sourced from PubChem (CID 633638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).