calcium;hydride;sulfuric acid;sulfurothioic O-acid

H6CaO7S3 — CID 174058975

IUPACcalcium;hydride;sulfuric acid;sulfurothioic O-acid
SMILESO=S(=O)(O)O.O=S(O)(O)=S.[Ca+2].[H-].[H-]
InChIInChI=1S/Ca.H2O4S.H2O3S2.2H/c;2*1-5(2,3)4;;/h;2*(H2,1,2,3,4);;/q+2;;;2*-1
InChIKeyDIYAVOHHROFDEP-UHFFFAOYSA-N
MW254.32 g/mol
LogP-1.13
Rot. Bonds

About calcium;hydride;sulfuric acid;sulfurothioic O-acid

calcium;hydride;sulfuric acid;sulfurothioic O-acid (PubChem CID 174058975) has the molecular formula H6CaO7S3 and a molecular weight of 254.32 g/mol. Its IUPAC name is calcium;hydride;sulfuric acid;sulfurothioic O-acid.

Molecular Properties

Compound Namecalcium;hydride;sulfuric acid;sulfurothioic O-acid
PubChem CID174058975
Molecular FormulaH6CaO7S3
Molecular Weight254.32 g/mol
Exact Mass253.89
IUPAC Namecalcium;hydride;sulfuric acid;sulfurothioic O-acid
SMILESO=S(=O)(O)O.O=S(O)(O)=S.[Ca+2].[H-].[H-]
InChIInChI=1S/Ca.H2O4S.H2O3S2.2H/c;2*1-5(2,3)4;;/h;2*(H2,1,2,3,4);;/q+2;;;2*-1
InChIKeyDIYAVOHHROFDEP-UHFFFAOYSA-N
XLogP-1.13
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 5-1.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

disodium;hydride;sulfuric acid;sulfurothioic O-acid
CID 174838171
sodium;copper;hydride;sulfuric acid;sulfurothioic O-acid
CID 173372575
disodium;hydride;bis(sulfurothioic O-acid)
CID 173307692
platinum;sulfurothioic O-acid
CID 173374995
sodium;hydride;sulfane;sulfurothioic O-acid
CID 174251415
sodium;hydride;sulfurothioic O-acid;dihydrate
CID 173056631
CID 173226223
CID 173226223
strontium;gallane;hydride;sulfurothioic O-acid
CID 173373507
CID 173149311
CID 173149311
dicalcium;hydride;sulfuric acid;hydrochloride
CID 173127277
sulfurothioic O-acid;uranium
CID 174777711
dicalcium;hydride;sulfuric acid;dihydrate
CID 173090602

Frequently Asked Questions

What is the IUPAC name of calcium;hydride;sulfuric acid;sulfurothioic O-acid?
The IUPAC name of calcium;hydride;sulfuric acid;sulfurothioic O-acid (CID 174058975) is calcium;hydride;sulfuric acid;sulfurothioic O-acid.
What is the SMILES notation for calcium;hydride;sulfuric acid;sulfurothioic O-acid?
The canonical SMILES for calcium;hydride;sulfuric acid;sulfurothioic O-acid is O=S(=O)(O)O.O=S(O)(O)=S.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;hydride;sulfuric acid;sulfurothioic O-acid?
The InChIKey is DIYAVOHHROFDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.H2O4S.H2O3S2.2H/c;2*1-5(2,3)4;;/h;2*(H2,1,2,3,4);;/q+2;;;2*-1.
What are the key properties of calcium;hydride;sulfuric acid;sulfurothioic O-acid?
calcium;hydride;sulfuric acid;sulfurothioic O-acid has a molecular weight of 254.32 g/mol, XLogP of -1.13, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;sulfuric acid;sulfurothioic O-acid is sourced from PubChem (CID 174058975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).