2-(5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]dithiol-2-ylidene)-[1,3]dithiolo[4,5-d][1,3]dithiole-5-thione

C8S10 — CID 59793312

IUPAC2-(5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]dithiol-2-ylidene)-[1,3]dithiolo[4,5-d][1,3]dithiole-5-thione
SMILESS=c1sc2c(s1)SC(=C1Sc3sc(=S)sc3S1)S2
InChIInChI=1S/C8S10/c9-7-15-3-4(16-7)12-1(11-3)2-13-5-6(14-2)18-8(10)17-5
InChIKeyDDLIWKYGCWWNOM-UHFFFAOYSA-N
MW416.76 g/mol
LogP7.61
Rot. Bonds

About 2-(5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]dithiol-2-ylidene)-[1,3]dithiolo[4,5-d][1,3]dithiole-5-thione

2-(5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]dithiol-2-ylidene)-[1,3]dithiolo[4,5-d][1,3]dithiole-5-thione (PubChem CID 59793312) has the molecular formula C8S10 and a molecular weight of 416.76 g/mol. Its IUPAC name is 2-(5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]dithiol-2-ylidene)-[1,3]dithiolo[4,5-d][1,3]dithiole-5-thione.

Molecular Properties

Compound Name2-(5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]dithiol-2-ylidene)-[1,3]dithiolo[4,5-d][1,3]dithiole-5-thione
PubChem CID59793312
Molecular FormulaC8S10
Molecular Weight416.76 g/mol
Exact Mass415.72
IUPAC Name2-(5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]dithiol-2-ylidene)-[1,3]dithiolo[4,5-d][1,3]dithiole-5-thione
SMILESS=c1sc2c(s1)SC(=C1Sc3sc(=S)sc3S1)S2
InChIInChI=1S/C8S10/c9-7-15-3-4(16-7)12-1(11-3)2-13-5-6(14-2)18-8(10)17-5
InChIKeyDDLIWKYGCWWNOM-UHFFFAOYSA-N
XLogP7.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.76
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]dithiol-2-ylidene)-[1,3]dithiolo[4,5-d][1,3]dithiole-5-thione?
The IUPAC name of 2-(5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]dithiol-2-ylidene)-[1,3]dithiolo[4,5-d][1,3]dithiole-5-thione (CID 59793312) is 2-(5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]dithiol-2-ylidene)-[1,3]dithiolo[4,5-d][1,3]dithiole-5-thione.
What is the SMILES notation for 2-(5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]dithiol-2-ylidene)-[1,3]dithiolo[4,5-d][1,3]dithiole-5-thione?
The canonical SMILES for 2-(5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]dithiol-2-ylidene)-[1,3]dithiolo[4,5-d][1,3]dithiole-5-thione is S=c1sc2c(s1)SC(=C1Sc3sc(=S)sc3S1)S2.
What is the InChIKey of 2-(5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]dithiol-2-ylidene)-[1,3]dithiolo[4,5-d][1,3]dithiole-5-thione?
The InChIKey is DDLIWKYGCWWNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8S10/c9-7-15-3-4(16-7)12-1(11-3)2-13-5-6(14-2)18-8(10)17-5.
What are the key properties of 2-(5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]dithiol-2-ylidene)-[1,3]dithiolo[4,5-d][1,3]dithiole-5-thione?
2-(5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]dithiol-2-ylidene)-[1,3]dithiolo[4,5-d][1,3]dithiole-5-thione has a molecular weight of 416.76 g/mol, XLogP of 7.61, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]dithiol-2-ylidene)-[1,3]dithiolo[4,5-d][1,3]dithiole-5-thione is sourced from PubChem (CID 59793312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).