CID 173464818

H4N2O3S — CID 173464818

IUPAC—
SMILESNN=S(=O)=O.O
InChIInChI=1S/H2N2O2S.H2O/c1-2-5(3)4;/h1H2;1H2
InChIKeySJHNQQDNDBWLGI-UHFFFAOYSA-N
MW112.11 g/mol
LogP-1.90
Rot. Bonds

About CID 173464818

CID 173464818 (PubChem CID 173464818) has the molecular formula H4N2O3S and a molecular weight of 112.11 g/mol.

Molecular Properties

Compound NameCID 173464818
PubChem CID173464818
Molecular FormulaH4N2O3S
Molecular Weight112.11 g/mol
Exact Mass111.99
IUPAC Name—
SMILESNN=S(=O)=O.O
InChIInChI=1S/H2N2O2S.H2O/c1-2-5(3)4;/h1H2;1H2
InChIKeySJHNQQDNDBWLGI-UHFFFAOYSA-N
XLogP-1.90
TPSA104.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.11
LogP ≤ 5-1.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173464818?
The IUPAC name of CID 173464818 (CID 173464818) is not available.
What is the SMILES notation for CID 173464818?
The canonical SMILES for CID 173464818 is NN=S(=O)=O.O.
What is the InChIKey of CID 173464818?
The InChIKey is SJHNQQDNDBWLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/H2N2O2S.H2O/c1-2-5(3)4;/h1H2;1H2.
What are the key properties of CID 173464818?
CID 173464818 has a molecular weight of 112.11 g/mol, XLogP of -1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173464818 is sourced from PubChem (CID 173464818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).