disodium;2-[bis(sulfanyl)methylidene]propanedinitrile;hydride

C4H4N2Na2S2 — CID 173344541

IUPACdisodium;2-[bis(sulfanyl)methylidene]propanedinitrile;hydride
SMILESN#CC(C#N)=C(S)S.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C4H2N2S2.2Na.2H/c5-1-3(2-6)4(7)8;;;;/h7-8H;;;;/q;2*+1;2*-1
InChIKeyXPXFWDIKINXQIS-UHFFFAOYSA-N
MW190.20 g/mol
LogP-4.66
Rot. Bonds

About disodium;2-[bis(sulfanyl)methylidene]propanedinitrile;hydride

disodium;2-[bis(sulfanyl)methylidene]propanedinitrile;hydride (PubChem CID 173344541) has the molecular formula C4H4N2Na2S2 and a molecular weight of 190.20 g/mol. Its IUPAC name is disodium;2-[bis(sulfanyl)methylidene]propanedinitrile;hydride.

Molecular Properties

Compound Namedisodium;2-[bis(sulfanyl)methylidene]propanedinitrile;hydride
PubChem CID173344541
Molecular FormulaC4H4N2Na2S2
Molecular Weight190.20 g/mol
Exact Mass189.96
IUPAC Namedisodium;2-[bis(sulfanyl)methylidene]propanedinitrile;hydride
SMILESN#CC(C#N)=C(S)S.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C4H2N2S2.2Na.2H/c5-1-3(2-6)4(7)8;;;;/h7-8H;;;;/q;2*+1;2*-1
InChIKeyXPXFWDIKINXQIS-UHFFFAOYSA-N
XLogP-4.66
TPSA47.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-4.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_D(3)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of disodium;2-[bis(sulfanyl)methylidene]propanedinitrile;hydride?
The IUPAC name of disodium;2-[bis(sulfanyl)methylidene]propanedinitrile;hydride (CID 173344541) is disodium;2-[bis(sulfanyl)methylidene]propanedinitrile;hydride.
What is the SMILES notation for disodium;2-[bis(sulfanyl)methylidene]propanedinitrile;hydride?
The canonical SMILES for disodium;2-[bis(sulfanyl)methylidene]propanedinitrile;hydride is N#CC(C#N)=C(S)S.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;2-[bis(sulfanyl)methylidene]propanedinitrile;hydride?
The InChIKey is XPXFWDIKINXQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2N2S2.2Na.2H/c5-1-3(2-6)4(7)8;;;;/h7-8H;;;;/q;2*+1;2*-1.
What are the key properties of disodium;2-[bis(sulfanyl)methylidene]propanedinitrile;hydride?
disodium;2-[bis(sulfanyl)methylidene]propanedinitrile;hydride has a molecular weight of 190.20 g/mol, XLogP of -4.66, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-[bis(sulfanyl)methylidene]propanedinitrile;hydride is sourced from PubChem (CID 173344541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).