CID 173162585

H5N2OPS — CID 173162585

IUPAC—
SMILES[H]N=P(N)(O)S
InChIInChI=1S/H5N2OPS/c1-4(2,3)5/h(H5,1,2,3,5)
InChIKeyJADWVLYMWVNVAN-UHFFFAOYSA-N
MW112.09 g/mol
LogP0.39
Rot. Bonds

About CID 173162585

CID 173162585 (PubChem CID 173162585) has the molecular formula H5N2OPS and a molecular weight of 112.09 g/mol.

Molecular Properties

Compound NameCID 173162585
PubChem CID173162585
Molecular FormulaH5N2OPS
Molecular Weight112.09 g/mol
Exact Mass111.99
IUPAC Name—
SMILES[H]N=P(N)(O)S
InChIInChI=1S/H5N2OPS/c1-4(2,3)5/h(H5,1,2,3,5)
InChIKeyJADWVLYMWVNVAN-UHFFFAOYSA-N
XLogP0.39
TPSA70.10 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.09
LogP ≤ 50.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 173162585?
The IUPAC name of CID 173162585 (CID 173162585) is not available.
What is the SMILES notation for CID 173162585?
The canonical SMILES for CID 173162585 is [H]N=P(N)(O)S.
What is the InChIKey of CID 173162585?
The InChIKey is JADWVLYMWVNVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/H5N2OPS/c1-4(2,3)5/h(H5,1,2,3,5).
What are the key properties of CID 173162585?
CID 173162585 has a molecular weight of 112.09 g/mol, XLogP of 0.39, 0 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173162585 is sourced from PubChem (CID 173162585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).