amino hydrogen sulfate;formic acid

CH5NO6S — CID 174971320

IUPACamino hydrogen sulfate;formic acid
SMILESNOS(=O)(=O)O.O=CO
InChIInChI=1S/CH2O2.H3NO4S/c2-1-3;1-5-6(2,3)4/h1H,(H,2,3);1H2,(H,2,3,4)
InChIKeyCMCYBBFREYUHHR-UHFFFAOYSA-N
MW159.12 g/mol
LogP-1.62
Rot. Bonds1

About amino hydrogen sulfate;formic acid

amino hydrogen sulfate;formic acid (PubChem CID 174971320) has the molecular formula CH5NO6S and a molecular weight of 159.12 g/mol. Its IUPAC name is amino hydrogen sulfate;formic acid.

Molecular Properties

Compound Nameamino hydrogen sulfate;formic acid
PubChem CID174971320
Molecular FormulaCH5NO6S
Molecular Weight159.12 g/mol
Exact Mass158.98
IUPAC Nameamino hydrogen sulfate;formic acid
SMILESNOS(=O)(=O)O.O=CO
InChIInChI=1S/CH2O2.H3NO4S/c2-1-3;1-5-6(2,3)4/h1H,(H,2,3);1H2,(H,2,3,4)
InChIKeyCMCYBBFREYUHHR-UHFFFAOYSA-N
XLogP-1.62
TPSA126.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.12
LogP ≤ 5-1.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

CID 131879747
CID 131879747
dilithium;formic acid;hydride;sulfamic acid
CID 174979173
formic acid;sulfamide
CID 155125377
hydroxyformaldehyde
CID 11672690
ethanesulfonic acid;formic acid
CID 87503053
dipotassium;copper;formic acid;hydride;sulfuric acid;hydrate
CID 175300078
amino formate;ethyl hydrogen sulfate
CID 174576727
formic acid;methylmercury
CID 161039463
CID 159720912
CID 159720912
formamide;formic acid
CID 22670458
lithium;cobalt;formic acid;hydride
CID 174759149
amino sulfamate;dihydroxy(oxo)phosphanium
CID 174840129

Frequently Asked Questions

What is the IUPAC name of amino hydrogen sulfate;formic acid?
The IUPAC name of amino hydrogen sulfate;formic acid (CID 174971320) is amino hydrogen sulfate;formic acid.
What is the SMILES notation for amino hydrogen sulfate;formic acid?
The canonical SMILES for amino hydrogen sulfate;formic acid is NOS(=O)(=O)O.O=CO.
What is the InChIKey of amino hydrogen sulfate;formic acid?
The InChIKey is CMCYBBFREYUHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O2.H3NO4S/c2-1-3;1-5-6(2,3)4/h1H,(H,2,3);1H2,(H,2,3,4).
What are the key properties of amino hydrogen sulfate;formic acid?
amino hydrogen sulfate;formic acid has a molecular weight of 159.12 g/mol, XLogP of -1.62, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino hydrogen sulfate;formic acid is sourced from PubChem (CID 174971320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).