2-(1,3-dithiol-2-ylidene)-1,3-benzodithiole

C10H6S4 — CID 11021453

IUPAC2-(1,3-dithiol-2-ylidene)-1,3-benzodithiole
SMILESC1=CSC(=C2Sc3ccccc3S2)S1
InChIInChI=1S/C10H6S4/c1-2-4-8-7(3-1)13-10(14-8)9-11-5-6-12-9/h1-6H
InChIKeyXLFFNEMADNGPRL-UHFFFAOYSA-N
MW254.43 g/mol
LogP4.96
Rot. Bonds

About 2-(1,3-dithiol-2-ylidene)-1,3-benzodithiole

2-(1,3-dithiol-2-ylidene)-1,3-benzodithiole (PubChem CID 11021453) has the molecular formula C10H6S4 and a molecular weight of 254.43 g/mol. Its IUPAC name is 2-(1,3-dithiol-2-ylidene)-1,3-benzodithiole.

Molecular Properties

Compound Name2-(1,3-dithiol-2-ylidene)-1,3-benzodithiole
PubChem CID11021453
Molecular FormulaC10H6S4
Molecular Weight254.43 g/mol
Exact Mass253.94
IUPAC Name2-(1,3-dithiol-2-ylidene)-1,3-benzodithiole
SMILESC1=CSC(=C2Sc3ccccc3S2)S1
InChIInChI=1S/C10H6S4/c1-2-4-8-7(3-1)13-10(14-8)9-11-5-6-12-9/h1-6H
InChIKeyXLFFNEMADNGPRL-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.43
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dithiol-2-ylidene)-1,3-benzodithiole?
The IUPAC name of 2-(1,3-dithiol-2-ylidene)-1,3-benzodithiole (CID 11021453) is 2-(1,3-dithiol-2-ylidene)-1,3-benzodithiole.
What is the SMILES notation for 2-(1,3-dithiol-2-ylidene)-1,3-benzodithiole?
The canonical SMILES for 2-(1,3-dithiol-2-ylidene)-1,3-benzodithiole is C1=CSC(=C2Sc3ccccc3S2)S1.
What is the InChIKey of 2-(1,3-dithiol-2-ylidene)-1,3-benzodithiole?
The InChIKey is XLFFNEMADNGPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6S4/c1-2-4-8-7(3-1)13-10(14-8)9-11-5-6-12-9/h1-6H.
What are the key properties of 2-(1,3-dithiol-2-ylidene)-1,3-benzodithiole?
2-(1,3-dithiol-2-ylidene)-1,3-benzodithiole has a molecular weight of 254.43 g/mol, XLogP of 4.96, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dithiol-2-ylidene)-1,3-benzodithiole is sourced from PubChem (CID 11021453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).