CID 154354443

H3N5O5S2 — CID 154354443

IUPAC—
SMILES[N-]=[N+]=NNN(S(=O)O)S(=O)(=O)O
InChIInChI=1S/H3N5O5S2/c1-2-3-4-5(11(6)7)12(8,9)10/h4H,(H,6,7)(H,8,9,10)
InChIKeyDMCCLYDSRFLNLJ-UHFFFAOYSA-N
MW217.19 g/mol
LogP-1.04
Rot. Bonds4

About CID 154354443

CID 154354443 (PubChem CID 154354443) has the molecular formula H3N5O5S2 and a molecular weight of 217.19 g/mol.

Molecular Properties

Compound NameCID 154354443
PubChem CID154354443
Molecular FormulaH3N5O5S2
Molecular Weight217.19 g/mol
Exact Mass216.96
IUPAC Name—
SMILES[N-]=[N+]=NNN(S(=O)O)S(=O)(=O)O
InChIInChI=1S/H3N5O5S2/c1-2-3-4-5(11(6)7)12(8,9)10/h4H,(H,6,7)(H,8,9,10)
InChIKeyDMCCLYDSRFLNLJ-UHFFFAOYSA-N
XLogP-1.04
TPSA155.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(E)-(iminohydrazinylidene)sulfamic acid
CID 140590378
Azidosulfamic acid
CID 148242502
CID 149433385
CID 149433385
CID 151090651
CID 151090651
(2-Diazohydrazinyl)-(sulfoamino)sulfamic acid
CID 151702972
CID 154408445
CID 154408445
CID 173362215
CID 173362215
(Iminohydrazinylidene)sulfamic acid
CID 173464633
Sulfuric acid;sulfuryl diazide
CID 173845117
CID 174726883
CID 174726883
Imino(disulfo)azanium
CID 175225442

Frequently Asked Questions

What is the IUPAC name of CID 154354443?
The IUPAC name of CID 154354443 (CID 154354443) is not available.
What is the SMILES notation for CID 154354443?
The canonical SMILES for CID 154354443 is [N-]=[N+]=NNN(S(=O)O)S(=O)(=O)O.
What is the InChIKey of CID 154354443?
The InChIKey is DMCCLYDSRFLNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/H3N5O5S2/c1-2-3-4-5(11(6)7)12(8,9)10/h4H,(H,6,7)(H,8,9,10).
What are the key properties of CID 154354443?
CID 154354443 has a molecular weight of 217.19 g/mol, XLogP of -1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154354443 is sourced from PubChem (CID 154354443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).