dihydroxyphosphinothioyl hydrogen sulfate

H3O6PS2 — CID 174609403

IUPACdihydroxyphosphinothioyl hydrogen sulfate
SMILESO=S(=O)(O)OP(O)(O)=S
InChIInChI=1S/H3O6PS2/c1-7(2,8)6-9(3,4)5/h(H2,1,2,8)(H,3,4,5)
InChIKeyBNQHDLNMZNGPES-UHFFFAOYSA-N
MW194.13 g/mol
LogP-0.99
Rot. Bonds2

About dihydroxyphosphinothioyl hydrogen sulfate

dihydroxyphosphinothioyl hydrogen sulfate (PubChem CID 174609403) has the molecular formula H3O6PS2 and a molecular weight of 194.13 g/mol. Its IUPAC name is dihydroxyphosphinothioyl hydrogen sulfate.

Molecular Properties

Compound Namedihydroxyphosphinothioyl hydrogen sulfate
PubChem CID174609403
Molecular FormulaH3O6PS2
Molecular Weight194.13 g/mol
Exact Mass193.91
IUPAC Namedihydroxyphosphinothioyl hydrogen sulfate
SMILESO=S(=O)(O)OP(O)(O)=S
InChIInChI=1S/H3O6PS2/c1-7(2,8)6-9(3,4)5/h(H2,1,2,8)(H,3,4,5)
InChIKeyBNQHDLNMZNGPES-UHFFFAOYSA-N
XLogP-0.99
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.13
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze dihydroxyphosphinothioyl hydrogen sulfate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(sulfo dihydrogen phosphate);sulfuric acid
CID 173418337
azane;sulfo dihydrogen phosphate
CID 173203542
azane;sulfo dihydrogen phosphate;zinc
CID 175237614
[hydroxy(sulfooxy)phosphoryl]phosphonic acid
CID 150163051
calcium;trisodium;hydride;sulfo dihydrogen phosphate
CID 173350436
diaminophosphoryl hydrogen sulfate
CID 174774826
[hydroxy(sulfooxy)phosphoryl] methanesulfonate
CID 150540601
nitro sulfo hydrogen phosphate
CID 154295491
[difluoro-[hydroxy(sulfooxy)phosphoryl]methyl]phosphonic acid
CID 87348536
[hydroxy(sulfooxy)phosphoryl]oxymethanethioic S-acid
CID 138756853
azane;phosphoric acid;sulfooxy hydrogen sulfate
CID 175303783
platinum;platinum(2+);sulfurothioic O-acid;tetrafluoroborate
CID 173069731

Frequently Asked Questions

What is the IUPAC name of dihydroxyphosphinothioyl hydrogen sulfate?
The IUPAC name of dihydroxyphosphinothioyl hydrogen sulfate (CID 174609403) is dihydroxyphosphinothioyl hydrogen sulfate.
What is the SMILES notation for dihydroxyphosphinothioyl hydrogen sulfate?
The canonical SMILES for dihydroxyphosphinothioyl hydrogen sulfate is O=S(=O)(O)OP(O)(O)=S.
What is the InChIKey of dihydroxyphosphinothioyl hydrogen sulfate?
The InChIKey is BNQHDLNMZNGPES-UHFFFAOYSA-N. The full InChI is InChI=1S/H3O6PS2/c1-7(2,8)6-9(3,4)5/h(H2,1,2,8)(H,3,4,5).
What are the key properties of dihydroxyphosphinothioyl hydrogen sulfate?
dihydroxyphosphinothioyl hydrogen sulfate has a molecular weight of 194.13 g/mol, XLogP of -0.99, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxyphosphinothioyl hydrogen sulfate is sourced from PubChem (CID 174609403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).