CID 174726883

H2N2O5S2 — CID 174726883

IUPAC—
SMILES[H]/N=N/S(=O)(=O)S(=O)(=O)O
InChIInChI=1S/H2N2O5S2/c1-2-8(3,4)9(5,6)7/h1H,(H,5,6,7)/b2-1+
InChIKeyPTLIWZJWURUBNX-OWOJBTEDSA-N
MW174.16 g/mol
LogP-0.85
Rot. Bonds2

About CID 174726883

CID 174726883 (PubChem CID 174726883) has the molecular formula H2N2O5S2 and a molecular weight of 174.16 g/mol.

Molecular Properties

Compound NameCID 174726883
PubChem CID174726883
Molecular FormulaH2N2O5S2
Molecular Weight174.16 g/mol
Exact Mass173.94
IUPAC Name—
SMILES[H]/N=N/S(=O)(=O)S(=O)(=O)O
InChIInChI=1S/H2N2O5S2/c1-2-8(3,4)9(5,6)7/h1H,(H,5,6,7)/b2-1+
InChIKeyPTLIWZJWURUBNX-OWOJBTEDSA-N
XLogP-0.85
TPSA124.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 174726883?
The IUPAC name of CID 174726883 (CID 174726883) is not available.
What is the SMILES notation for CID 174726883?
The canonical SMILES for CID 174726883 is [H]/N=N/S(=O)(=O)S(=O)(=O)O.
What is the InChIKey of CID 174726883?
The InChIKey is PTLIWZJWURUBNX-OWOJBTEDSA-N. The full InChI is InChI=1S/H2N2O5S2/c1-2-8(3,4)9(5,6)7/h1H,(H,5,6,7)/b2-1+.
What are the key properties of CID 174726883?
CID 174726883 has a molecular weight of 174.16 g/mol, XLogP of -0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174726883 is sourced from PubChem (CID 174726883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).