carbonochloridothioyloxyphosphonamidic acid

CH3ClNO3PS — CID 88767433

IUPACcarbonochloridothioyloxyphosphonamidic acid
SMILESNP(=O)(O)OC(=S)Cl
InChIInChI=1S/CH3ClNO3PS/c2-1(8)6-7(3,4)5/h(H3,3,4,5)
InChIKeyFBKARTUGYYLWNW-UHFFFAOYSA-N
MW175.53 g/mol
LogP0.59
Rot. Bonds1

About carbonochloridothioyloxyphosphonamidic acid

carbonochloridothioyloxyphosphonamidic acid (PubChem CID 88767433) has the molecular formula CH3ClNO3PS and a molecular weight of 175.53 g/mol. Its IUPAC name is carbonochloridothioyloxyphosphonamidic acid.

Molecular Properties

Compound Namecarbonochloridothioyloxyphosphonamidic acid
PubChem CID88767433
Molecular FormulaCH3ClNO3PS
Molecular Weight175.53 g/mol
Exact Mass174.93
IUPAC Namecarbonochloridothioyloxyphosphonamidic acid
SMILESNP(=O)(O)OC(=S)Cl
InChIInChI=1S/CH3ClNO3PS/c2-1(8)6-7(3,4)5/h(H3,3,4,5)
InChIKeyFBKARTUGYYLWNW-UHFFFAOYSA-N
XLogP0.59
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.53
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbonochloridothioyloxyphosphonamidic acid?
The IUPAC name of carbonochloridothioyloxyphosphonamidic acid (CID 88767433) is carbonochloridothioyloxyphosphonamidic acid.
What is the SMILES notation for carbonochloridothioyloxyphosphonamidic acid?
The canonical SMILES for carbonochloridothioyloxyphosphonamidic acid is NP(=O)(O)OC(=S)Cl.
What is the InChIKey of carbonochloridothioyloxyphosphonamidic acid?
The InChIKey is FBKARTUGYYLWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3ClNO3PS/c2-1(8)6-7(3,4)5/h(H3,3,4,5).
What are the key properties of carbonochloridothioyloxyphosphonamidic acid?
carbonochloridothioyloxyphosphonamidic acid has a molecular weight of 175.53 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonochloridothioyloxyphosphonamidic acid is sourced from PubChem (CID 88767433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).