carbanide;bis(cobalt(3+));2-(4,5-disulfido-1,3-dithiol-2-ylidene)-1,3-dithiole-4,5-dithiolate

C8H6Co2S8 — CID 134942374

IUPACcarbanide;bis(cobalt(3+));2-(4,5-disulfido-1,3-dithiol-2-ylidene)-1,3-dithiole-4,5-dithiolate
SMILES[CH3-].[CH3-].[Co+3].[Co+3].[S-]C1=C([S-])SC(=C2SC([S-])=C([S-])S2)S1
InChIInChI=1S/C6H4S8.2CH3.2Co/c7-1-2(8)12-5(11-1)6-13-3(9)4(10)14-6;;;;/h7-10H;2*1H3;;/q;2*-1;2*+3/p-4
InChIKeyCCFOCUQLDLTNLI-UHFFFAOYSA-J
MW476.54 g/mol
LogP4.41
Rot. Bonds

About carbanide;bis(cobalt(3+));2-(4,5-disulfido-1,3-dithiol-2-ylidene)-1,3-dithiole-4,5-dithiolate

carbanide;bis(cobalt(3+));2-(4,5-disulfido-1,3-dithiol-2-ylidene)-1,3-dithiole-4,5-dithiolate (PubChem CID 134942374) has the molecular formula C8H6Co2S8 and a molecular weight of 476.54 g/mol. Its IUPAC name is carbanide;bis(cobalt(3+));2-(4,5-disulfido-1,3-dithiol-2-ylidene)-1,3-dithiole-4,5-dithiolate.

Molecular Properties

Compound Namecarbanide;bis(cobalt(3+));2-(4,5-disulfido-1,3-dithiol-2-ylidene)-1,3-dithiole-4,5-dithiolate
PubChem CID134942374
Molecular FormulaC8H6Co2S8
Molecular Weight476.54 g/mol
Exact Mass475.69
IUPAC Namecarbanide;bis(cobalt(3+));2-(4,5-disulfido-1,3-dithiol-2-ylidene)-1,3-dithiole-4,5-dithiolate
SMILES[CH3-].[CH3-].[Co+3].[Co+3].[S-]C1=C([S-])SC(=C2SC([S-])=C([S-])S2)S1
InChIInChI=1S/C6H4S8.2CH3.2Co/c7-1-2(8)12-5(11-1)6-13-3(9)4(10)14-6;;;;/h7-10H;2*1H3;;/q;2*-1;2*+3/p-4
InChIKeyCCFOCUQLDLTNLI-UHFFFAOYSA-J
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbanide;bis(cobalt(3+));2-(4,5-disulfido-1,3-dithiol-2-ylidene)-1,3-dithiole-4,5-dithiolate?
The IUPAC name of carbanide;bis(cobalt(3+));2-(4,5-disulfido-1,3-dithiol-2-ylidene)-1,3-dithiole-4,5-dithiolate (CID 134942374) is carbanide;bis(cobalt(3+));2-(4,5-disulfido-1,3-dithiol-2-ylidene)-1,3-dithiole-4,5-dithiolate.
What is the SMILES notation for carbanide;bis(cobalt(3+));2-(4,5-disulfido-1,3-dithiol-2-ylidene)-1,3-dithiole-4,5-dithiolate?
The canonical SMILES for carbanide;bis(cobalt(3+));2-(4,5-disulfido-1,3-dithiol-2-ylidene)-1,3-dithiole-4,5-dithiolate is [CH3-].[CH3-].[Co+3].[Co+3].[S-]C1=C([S-])SC(=C2SC([S-])=C([S-])S2)S1.
What is the InChIKey of carbanide;bis(cobalt(3+));2-(4,5-disulfido-1,3-dithiol-2-ylidene)-1,3-dithiole-4,5-dithiolate?
The InChIKey is CCFOCUQLDLTNLI-UHFFFAOYSA-J. The full InChI is InChI=1S/C6H4S8.2CH3.2Co/c7-1-2(8)12-5(11-1)6-13-3(9)4(10)14-6;;;;/h7-10H;2*1H3;;/q;2*-1;2*+3/p-4.
What are the key properties of carbanide;bis(cobalt(3+));2-(4,5-disulfido-1,3-dithiol-2-ylidene)-1,3-dithiole-4,5-dithiolate?
carbanide;bis(cobalt(3+));2-(4,5-disulfido-1,3-dithiol-2-ylidene)-1,3-dithiole-4,5-dithiolate has a molecular weight of 476.54 g/mol, XLogP of 4.41, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(cobalt(3+));2-(4,5-disulfido-1,3-dithiol-2-ylidene)-1,3-dithiole-4,5-dithiolate is sourced from PubChem (CID 134942374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).