CID 19690831

O2PS- — CID 19690831

IUPAC—
SMILESO=P([O-])=S
InChIInChI=1S/HO2PS/c1-3(2)4/h(H,1,2,4)/p-1
InChIKeyMVBMPHLQWPHNJF-UHFFFAOYSA-M
MW95.04 g/mol
LogP-0.45
Rot. Bonds

About CID 19690831

CID 19690831 (PubChem CID 19690831) has the molecular formula O2PS- and a molecular weight of 95.04 g/mol.

Molecular Properties

Compound NameCID 19690831
PubChem CID19690831
Molecular FormulaO2PS-
Molecular Weight95.04 g/mol
Exact Mass94.94
IUPAC Name—
SMILESO=P([O-])=S
InChIInChI=1S/HO2PS/c1-3(2)4/h(H,1,2,4)/p-1
InChIKeyMVBMPHLQWPHNJF-UHFFFAOYSA-M
XLogP-0.45
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.04
LogP ≤ 5-0.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 19690831?
The IUPAC name of CID 19690831 (CID 19690831) is not available.
What is the SMILES notation for CID 19690831?
The canonical SMILES for CID 19690831 is O=P([O-])=S.
What is the InChIKey of CID 19690831?
The InChIKey is MVBMPHLQWPHNJF-UHFFFAOYSA-M. The full InChI is InChI=1S/HO2PS/c1-3(2)4/h(H,1,2,4)/p-1.
What are the key properties of CID 19690831?
CID 19690831 has a molecular weight of 95.04 g/mol, XLogP of -0.45, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19690831 is sourced from PubChem (CID 19690831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).