boric acid;sulfurothioic O-acid

H5BO6S2 — CID 173453516

IUPACboric acid;sulfurothioic O-acid
SMILESO=S(O)(O)=S.OB(O)O
InChIInChI=1S/BH3O3.H2O3S2/c2-1(3)4;1-5(2,3)4/h2-4H;(H2,1,2,3,4)
InChIKeyOPYSVFKNYMPHRN-UHFFFAOYSA-N
MW175.98 g/mol
LogP-2.37
Rot. Bonds

About boric acid;sulfurothioic O-acid

boric acid;sulfurothioic O-acid (PubChem CID 173453516) has the molecular formula H5BO6S2 and a molecular weight of 175.98 g/mol. Its IUPAC name is boric acid;sulfurothioic O-acid.

Molecular Properties

Compound Nameboric acid;sulfurothioic O-acid
PubChem CID173453516
Molecular FormulaH5BO6S2
Molecular Weight175.98 g/mol
Exact Mass175.96
IUPAC Nameboric acid;sulfurothioic O-acid
SMILESO=S(O)(O)=S.OB(O)O
InChIInChI=1S/BH3O3.H2O3S2/c2-1(3)4;1-5(2,3)4/h2-4H;(H2,1,2,3,4)
InChIKeyOPYSVFKNYMPHRN-UHFFFAOYSA-N
XLogP-2.37
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.98
LogP ≤ 5-2.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

platinum;sulfurothioic O-acid
CID 173374995
gallane;sulfurothioic O-acid
CID 175433245
sulfurothioic O-acid;uranium
CID 174777711
sulfurothioic O-acid;titanium
CID 174806417
CID 173149311
CID 173149311
azane;sulfane;sulfurothioic O-acid
CID 172705042
CID 170843426
CID 170843426
disodium;hydride;bis(sulfurothioic O-acid)
CID 173307692
boric acid;λ2-plumbane;sulfuric acid
CID 175363822
sodium;hydride;sulfane;sulfurothioic O-acid
CID 174251415
sodium;hydride;sulfurothioic O-acid;dihydrate
CID 173056631
strontium;gallane;hydride;sulfurothioic O-acid
CID 173373507

Frequently Asked Questions

What is the IUPAC name of boric acid;sulfurothioic O-acid?
The IUPAC name of boric acid;sulfurothioic O-acid (CID 173453516) is boric acid;sulfurothioic O-acid.
What is the SMILES notation for boric acid;sulfurothioic O-acid?
The canonical SMILES for boric acid;sulfurothioic O-acid is O=S(O)(O)=S.OB(O)O.
What is the InChIKey of boric acid;sulfurothioic O-acid?
The InChIKey is OPYSVFKNYMPHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/BH3O3.H2O3S2/c2-1(3)4;1-5(2,3)4/h2-4H;(H2,1,2,3,4).
What are the key properties of boric acid;sulfurothioic O-acid?
boric acid;sulfurothioic O-acid has a molecular weight of 175.98 g/mol, XLogP of -2.37, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;sulfurothioic O-acid is sourced from PubChem (CID 173453516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).