CID 172681199

H3N3O4S — CID 172681199

IUPAC—
SMILESO=S(=O)(O)O.[N-]=[N+]=N
InChIInChI=1S/HN3.H2O4S/c1-3-2;1-5(2,3)4/h1H;(H2,1,2,3,4)
InChIKeyAKPAWDNIKKXKFP-UHFFFAOYSA-N
MW141.11 g/mol
LogP0.22
Rot. Bonds

About CID 172681199

CID 172681199 (PubChem CID 172681199) has the molecular formula H3N3O4S and a molecular weight of 141.11 g/mol.

Molecular Properties

Compound NameCID 172681199
PubChem CID172681199
Molecular FormulaH3N3O4S
Molecular Weight141.11 g/mol
Exact Mass140.98
IUPAC Name—
SMILESO=S(=O)(O)O.[N-]=[N+]=N
InChIInChI=1S/HN3.H2O4S/c1-3-2;1-5(2,3)4/h1H;(H2,1,2,3,4)
InChIKeyAKPAWDNIKKXKFP-UHFFFAOYSA-N
XLogP0.22
TPSA134.85 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.11
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

(E)-hydrazinylidenesulfamic acid
CID 18000562
Iminosulfamic acid
CID 22119597
Hydrazinylidenesulfamic acid
CID 73415305
Sulfuric acid azide
CID 172778383
Imino-oxido-sulfoazanium
CID 172778493
Sulfoazaniumylideneazanide
CID 173010218
CID 173362215
CID 173362215
CID 173568353
CID 173568353
Diiminoazanium;hydrogen sulfite
CID 174618974
CID 174726883
CID 174726883
CID 174882725
CID 174882725
Imino(disulfo)azanium
CID 175225442

Frequently Asked Questions

What is the IUPAC name of CID 172681199?
The IUPAC name of CID 172681199 (CID 172681199) is not available.
What is the SMILES notation for CID 172681199?
The canonical SMILES for CID 172681199 is O=S(=O)(O)O.[N-]=[N+]=N.
What is the InChIKey of CID 172681199?
The InChIKey is AKPAWDNIKKXKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/HN3.H2O4S/c1-3-2;1-5(2,3)4/h1H;(H2,1,2,3,4).
What are the key properties of CID 172681199?
CID 172681199 has a molecular weight of 141.11 g/mol, XLogP of 0.22, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172681199 is sourced from PubChem (CID 172681199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).