disodium;2,2-bis(sulfanyl)propanedinitrile;hydride

C3H4N2Na2S2 — CID 173295968

IUPACdisodium;2,2-bis(sulfanyl)propanedinitrile;hydride
SMILESN#CC(S)(S)C#N.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C3H2N2S2.2Na.2H/c4-1-3(6,7)2-5;;;;/h6-7H;;;;/q;2*+1;2*-1
InChIKeyRSIYLLGHWVQHAK-UHFFFAOYSA-N
MW178.19 g/mol
LogP-5.18
Rot. Bonds

About disodium;2,2-bis(sulfanyl)propanedinitrile;hydride

disodium;2,2-bis(sulfanyl)propanedinitrile;hydride (PubChem CID 173295968) has the molecular formula C3H4N2Na2S2 and a molecular weight of 178.19 g/mol. Its IUPAC name is disodium;2,2-bis(sulfanyl)propanedinitrile;hydride.

Molecular Properties

Compound Namedisodium;2,2-bis(sulfanyl)propanedinitrile;hydride
PubChem CID173295968
Molecular FormulaC3H4N2Na2S2
Molecular Weight178.19 g/mol
Exact Mass177.96
IUPAC Namedisodium;2,2-bis(sulfanyl)propanedinitrile;hydride
SMILESN#CC(S)(S)C#N.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C3H2N2S2.2Na.2H/c4-1-3(6,7)2-5;;;;/h6-7H;;;;/q;2*+1;2*-1
InChIKeyRSIYLLGHWVQHAK-UHFFFAOYSA-N
XLogP-5.18
TPSA47.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 5-5.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

trisodium;hydride;thiocyanic acid
CID 174868626
sodium;hydride;scandium;hydrate
CID 174797344
sodium;hydride;propanedinitrile
CID 173234067
octanonacontasodium;thiocyanic acid
CID 173362917
sodium;hydride;prop-2-enenitrile;thiocyanic acid
CID 174758576
CID 173007913
CID 173007913
sodium;formaldehyde;hydride
CID 173494196
calcium;hydride;thiocyanic acid
CID 173280963
tetracosasodium;hydride;dihydrate
CID 173395672
heptasodium;hydride;trihydrate
CID 173377375
pentasodium;hydride;triacontahydrate
CID 173289943
disodium;hydride;decahydrate
CID 173476673

Frequently Asked Questions

What is the IUPAC name of disodium;2,2-bis(sulfanyl)propanedinitrile;hydride?
The IUPAC name of disodium;2,2-bis(sulfanyl)propanedinitrile;hydride (CID 173295968) is disodium;2,2-bis(sulfanyl)propanedinitrile;hydride.
What is the SMILES notation for disodium;2,2-bis(sulfanyl)propanedinitrile;hydride?
The canonical SMILES for disodium;2,2-bis(sulfanyl)propanedinitrile;hydride is N#CC(S)(S)C#N.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;2,2-bis(sulfanyl)propanedinitrile;hydride?
The InChIKey is RSIYLLGHWVQHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2N2S2.2Na.2H/c4-1-3(6,7)2-5;;;;/h6-7H;;;;/q;2*+1;2*-1.
What are the key properties of disodium;2,2-bis(sulfanyl)propanedinitrile;hydride?
disodium;2,2-bis(sulfanyl)propanedinitrile;hydride has a molecular weight of 178.19 g/mol, XLogP of -5.18, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2,2-bis(sulfanyl)propanedinitrile;hydride is sourced from PubChem (CID 173295968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).