N-[hydroxy(methoxy)phosphinothioyl]methanamine

C2H8NO2PS — CID 4155878

IUPACN-[hydroxy(methoxy)phosphinothioyl]methanamine
SMILESCNP(O)(=S)OC
InChIInChI=1S/C2H8NO2PS/c1-3-6(4,7)5-2/h1-2H3,(H2,3,4,7)
InChIKeyTVOPGQVYARDQJS-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.07
Rot. Bonds2

About N-[hydroxy(methoxy)phosphinothioyl]methanamine

N-[hydroxy(methoxy)phosphinothioyl]methanamine (PubChem CID 4155878) has the molecular formula C2H8NO2PS and a molecular weight of 141.13 g/mol. Its IUPAC name is N-[hydroxy(methoxy)phosphinothioyl]methanamine.

Molecular Properties

Compound NameN-[hydroxy(methoxy)phosphinothioyl]methanamine
PubChem CID4155878
Molecular FormulaC2H8NO2PS
Molecular Weight141.13 g/mol
Exact Mass141.00
IUPAC NameN-[hydroxy(methoxy)phosphinothioyl]methanamine
SMILESCNP(O)(=S)OC
InChIInChI=1S/C2H8NO2PS/c1-3-6(4,7)5-2/h1-2H3,(H2,3,4,7)
InChIKeyTVOPGQVYARDQJS-UHFFFAOYSA-N
XLogP0.07
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[hydroxy(methoxy)phosphinothioyl]methanamine?
The IUPAC name of N-[hydroxy(methoxy)phosphinothioyl]methanamine (CID 4155878) is N-[hydroxy(methoxy)phosphinothioyl]methanamine.
What is the SMILES notation for N-[hydroxy(methoxy)phosphinothioyl]methanamine?
The canonical SMILES for N-[hydroxy(methoxy)phosphinothioyl]methanamine is CNP(O)(=S)OC.
What is the InChIKey of N-[hydroxy(methoxy)phosphinothioyl]methanamine?
The InChIKey is TVOPGQVYARDQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8NO2PS/c1-3-6(4,7)5-2/h1-2H3,(H2,3,4,7).
What are the key properties of N-[hydroxy(methoxy)phosphinothioyl]methanamine?
N-[hydroxy(methoxy)phosphinothioyl]methanamine has a molecular weight of 141.13 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[hydroxy(methoxy)phosphinothioyl]methanamine is sourced from PubChem (CID 4155878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).