disodium;hydride;sulfurothioic O-acid;thiocyanic acid

CH5NNa2O3S3 — CID 173352613

IUPACdisodium;hydride;sulfurothioic O-acid;thiocyanic acid
SMILESN#CS.O=S(O)(O)=S.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/CHNS.2Na.H2O3S2.2H/c2-1-3;;;1-5(2,3)4;;/h3H;;;(H2,1,2,3,4);;/q;2*+1;;2*-1
InChIKeyUIQZBRZSXQTUMW-UHFFFAOYSA-N
MW221.24 g/mol
LogP-5.69
Rot. Bonds

About disodium;hydride;sulfurothioic O-acid;thiocyanic acid

disodium;hydride;sulfurothioic O-acid;thiocyanic acid (PubChem CID 173352613) has the molecular formula CH5NNa2O3S3 and a molecular weight of 221.24 g/mol. Its IUPAC name is disodium;hydride;sulfurothioic O-acid;thiocyanic acid.

Molecular Properties

Compound Namedisodium;hydride;sulfurothioic O-acid;thiocyanic acid
PubChem CID173352613
Molecular FormulaCH5NNa2O3S3
Molecular Weight221.24 g/mol
Exact Mass220.92
IUPAC Namedisodium;hydride;sulfurothioic O-acid;thiocyanic acid
SMILESN#CS.O=S(O)(O)=S.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/CHNS.2Na.H2O3S2.2H/c2-1-3;;;1-5(2,3)4;;/h3H;;;(H2,1,2,3,4);;/q;2*+1;;2*-1
InChIKeyUIQZBRZSXQTUMW-UHFFFAOYSA-N
XLogP-5.69
TPSA81.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 5-5.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydride;sulfurothioic O-acid;dihydrate
CID 173056631
disodium;hydride;bis(sulfurothioic O-acid)
CID 173307692
disodium;hydride;sulfuric acid;sulfurothioic O-acid
CID 174838171
sodium;hydride;sulfane;sulfurothioic O-acid
CID 174251415
CID 173226223
CID 173226223
sodium;copper;hydride;sulfuric acid;sulfurothioic O-acid
CID 173372575
platinum;sulfurothioic O-acid
CID 173374995
trisodium;hydride;thiocyanic acid
CID 174868626
calcium;hydride;sulfuric acid;sulfurothioic O-acid
CID 174058975
strontium;gallane;hydride;sulfurothioic O-acid
CID 173373507
lithium;hydride;hydron;thiocyanic acid
CID 174838780
CID 173149311
CID 173149311

Frequently Asked Questions

What is the IUPAC name of disodium;hydride;sulfurothioic O-acid;thiocyanic acid?
The IUPAC name of disodium;hydride;sulfurothioic O-acid;thiocyanic acid (CID 173352613) is disodium;hydride;sulfurothioic O-acid;thiocyanic acid.
What is the SMILES notation for disodium;hydride;sulfurothioic O-acid;thiocyanic acid?
The canonical SMILES for disodium;hydride;sulfurothioic O-acid;thiocyanic acid is N#CS.O=S(O)(O)=S.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;hydride;sulfurothioic O-acid;thiocyanic acid?
The InChIKey is UIQZBRZSXQTUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/CHNS.2Na.H2O3S2.2H/c2-1-3;;;1-5(2,3)4;;/h3H;;;(H2,1,2,3,4);;/q;2*+1;;2*-1.
What are the key properties of disodium;hydride;sulfurothioic O-acid;thiocyanic acid?
disodium;hydride;sulfurothioic O-acid;thiocyanic acid has a molecular weight of 221.24 g/mol, XLogP of -5.69, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;hydride;sulfurothioic O-acid;thiocyanic acid is sourced from PubChem (CID 173352613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).