2,5-bis[bis(methylsulfanyl)methylidene]-[1,3]dithiolo[4,5-d][1,3]dithiole

C10H12S8 — CID 101470747

IUPAC2,5-bis[bis(methylsulfanyl)methylidene]-[1,3]dithiolo[4,5-d][1,3]dithiole
SMILESCSC(SC)=C1SC2=C(S1)SC(=C(SC)SC)S2
InChIInChI=1S/C10H12S8/c1-11-5(12-2)7-15-9-10(16-7)18-8(17-9)6(13-3)14-4/h1-4H3
InChIKeyPPXDVCMEIGUAOX-UHFFFAOYSA-N
MW388.74 g/mol
LogP6.78
Rot. Bonds4

About 2,5-bis[bis(methylsulfanyl)methylidene]-[1,3]dithiolo[4,5-d][1,3]dithiole

2,5-bis[bis(methylsulfanyl)methylidene]-[1,3]dithiolo[4,5-d][1,3]dithiole (PubChem CID 101470747) has the molecular formula C10H12S8 and a molecular weight of 388.74 g/mol. Its IUPAC name is 2,5-bis[bis(methylsulfanyl)methylidene]-[1,3]dithiolo[4,5-d][1,3]dithiole.

Molecular Properties

Compound Name2,5-bis[bis(methylsulfanyl)methylidene]-[1,3]dithiolo[4,5-d][1,3]dithiole
PubChem CID101470747
Molecular FormulaC10H12S8
Molecular Weight388.74 g/mol
Exact Mass387.87
IUPAC Name2,5-bis[bis(methylsulfanyl)methylidene]-[1,3]dithiolo[4,5-d][1,3]dithiole
SMILESCSC(SC)=C1SC2=C(S1)SC(=C(SC)SC)S2
InChIInChI=1S/C10H12S8/c1-11-5(12-2)7-15-9-10(16-7)18-8(17-9)6(13-3)14-4/h1-4H3
InChIKeyPPXDVCMEIGUAOX-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 2,5-bis[bis(methylsulfanyl)methylidene]-[1,3]dithiolo[4,5-d][1,3]dithiole?
The IUPAC name of 2,5-bis[bis(methylsulfanyl)methylidene]-[1,3]dithiolo[4,5-d][1,3]dithiole (CID 101470747) is 2,5-bis[bis(methylsulfanyl)methylidene]-[1,3]dithiolo[4,5-d][1,3]dithiole.
What is the SMILES notation for 2,5-bis[bis(methylsulfanyl)methylidene]-[1,3]dithiolo[4,5-d][1,3]dithiole?
The canonical SMILES for 2,5-bis[bis(methylsulfanyl)methylidene]-[1,3]dithiolo[4,5-d][1,3]dithiole is CSC(SC)=C1SC2=C(S1)SC(=C(SC)SC)S2.
What is the InChIKey of 2,5-bis[bis(methylsulfanyl)methylidene]-[1,3]dithiolo[4,5-d][1,3]dithiole?
The InChIKey is PPXDVCMEIGUAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12S8/c1-11-5(12-2)7-15-9-10(16-7)18-8(17-9)6(13-3)14-4/h1-4H3.
What are the key properties of 2,5-bis[bis(methylsulfanyl)methylidene]-[1,3]dithiolo[4,5-d][1,3]dithiole?
2,5-bis[bis(methylsulfanyl)methylidene]-[1,3]dithiolo[4,5-d][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 2,5-bis[bis(methylsulfanyl)methylidene]-[1,3]dithiolo[4,5-d][1,3]dithiole is sourced from PubChem (CID 101470747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).