CID 20686844

H4N2O2S — CID 20686844

IUPAC—
SMILESNOS(N)=O
InChIInChI=1S/H4N2O2S/c1-4-5(2)3/h1-2H2
InChIKeyNQHHKNZJMSIETN-UHFFFAOYSA-N
MW96.11 g/mol
LogP-1.59
Rot. Bonds1

About CID 20686844

CID 20686844 (PubChem CID 20686844) has the molecular formula H4N2O2S and a molecular weight of 96.11 g/mol.

Molecular Properties

Compound NameCID 20686844
PubChem CID20686844
Molecular FormulaH4N2O2S
Molecular Weight96.11 g/mol
Exact Mass96.00
IUPAC Name—
SMILESNOS(N)=O
InChIInChI=1S/H4N2O2S/c1-4-5(2)3/h1-2H2
InChIKeyNQHHKNZJMSIETN-UHFFFAOYSA-N
XLogP-1.59
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.11
LogP ≤ 5-1.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 20686844?
The IUPAC name of CID 20686844 (CID 20686844) is not available.
What is the SMILES notation for CID 20686844?
The canonical SMILES for CID 20686844 is NOS(N)=O.
What is the InChIKey of CID 20686844?
The InChIKey is NQHHKNZJMSIETN-UHFFFAOYSA-N. The full InChI is InChI=1S/H4N2O2S/c1-4-5(2)3/h1-2H2.
What are the key properties of CID 20686844?
CID 20686844 has a molecular weight of 96.11 g/mol, XLogP of -1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20686844 is sourced from PubChem (CID 20686844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).