2-(1,3-dithiol-2-ylidene)-1,3-dithiole-4-thiol

C6H4S5 — CID 10061083

IUPAC2-(1,3-dithiol-2-ylidene)-1,3-dithiole-4-thiol
SMILESSC1=CSC(=C2SC=CS2)S1
InChIInChI=1S/C6H4S5/c7-4-3-10-6(11-4)5-8-1-2-9-5/h1-3,7H
InChIKeyIJKYWVQKBRCFBZ-UHFFFAOYSA-N
MW236.43 g/mol
LogP4.27
Rot. Bonds

About 2-(1,3-dithiol-2-ylidene)-1,3-dithiole-4-thiol

2-(1,3-dithiol-2-ylidene)-1,3-dithiole-4-thiol (PubChem CID 10061083) has the molecular formula C6H4S5 and a molecular weight of 236.43 g/mol. Its IUPAC name is 2-(1,3-dithiol-2-ylidene)-1,3-dithiole-4-thiol.

Molecular Properties

Compound Name2-(1,3-dithiol-2-ylidene)-1,3-dithiole-4-thiol
PubChem CID10061083
Molecular FormulaC6H4S5
Molecular Weight236.43 g/mol
Exact Mass235.89
IUPAC Name2-(1,3-dithiol-2-ylidene)-1,3-dithiole-4-thiol
SMILESSC1=CSC(=C2SC=CS2)S1
InChIInChI=1S/C6H4S5/c7-4-3-10-6(11-4)5-8-1-2-9-5/h1-3,7H
InChIKeyIJKYWVQKBRCFBZ-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.43
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dithiol-2-ylidene)-1,3-dithiole-4-thiol?
The IUPAC name of 2-(1,3-dithiol-2-ylidene)-1,3-dithiole-4-thiol (CID 10061083) is 2-(1,3-dithiol-2-ylidene)-1,3-dithiole-4-thiol.
What is the SMILES notation for 2-(1,3-dithiol-2-ylidene)-1,3-dithiole-4-thiol?
The canonical SMILES for 2-(1,3-dithiol-2-ylidene)-1,3-dithiole-4-thiol is SC1=CSC(=C2SC=CS2)S1.
What is the InChIKey of 2-(1,3-dithiol-2-ylidene)-1,3-dithiole-4-thiol?
The InChIKey is IJKYWVQKBRCFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4S5/c7-4-3-10-6(11-4)5-8-1-2-9-5/h1-3,7H.
What are the key properties of 2-(1,3-dithiol-2-ylidene)-1,3-dithiole-4-thiol?
2-(1,3-dithiol-2-ylidene)-1,3-dithiole-4-thiol has a molecular weight of 236.43 g/mol, XLogP of 4.27, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dithiol-2-ylidene)-1,3-dithiole-4-thiol is sourced from PubChem (CID 10061083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).