2-[amino(methoxy)phosphinothioyl]oxypropane

C4H12NO2PS — CID 14091506

IUPAC2-[amino(methoxy)phosphinothioyl]oxypropane
SMILESCOP(N)(=S)OC(C)C
InChIInChI=1S/C4H12NO2PS/c1-4(2)7-8(5,9)6-3/h4H,1-3H3,(H2,5,9)
InChIKeyPXFHGHAJXFEGIL-UHFFFAOYSA-N
MW169.19 g/mol
LogP1.24
Rot. Bonds3

About 2-[amino(methoxy)phosphinothioyl]oxypropane

2-[amino(methoxy)phosphinothioyl]oxypropane (PubChem CID 14091506) has the molecular formula C4H12NO2PS and a molecular weight of 169.19 g/mol. Its IUPAC name is 2-[amino(methoxy)phosphinothioyl]oxypropane.

Molecular Properties

Compound Name2-[amino(methoxy)phosphinothioyl]oxypropane
PubChem CID14091506
Molecular FormulaC4H12NO2PS
Molecular Weight169.19 g/mol
Exact Mass169.03
IUPAC Name2-[amino(methoxy)phosphinothioyl]oxypropane
SMILESCOP(N)(=S)OC(C)C
InChIInChI=1S/C4H12NO2PS/c1-4(2)7-8(5,9)6-3/h4H,1-3H3,(H2,5,9)
InChIKeyPXFHGHAJXFEGIL-UHFFFAOYSA-N
XLogP1.24
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[amino(methoxy)phosphinothioyl]oxyethane
CID 14091505
S-di(propan-2-yloxy)phosphinothioylthiohydroxylamine
CID 12638082
zinc bis(di(propan-2-yloxy)-sulfanylidene-sulfido-lambda5-phosphane)
CID 12896172
methane;methyl dipropan-2-yl phosphate
CID 158565801
methyl 2-[[chloro(propan-2-yloxy)phosphinothioyl]amino]propanoate
CID 15539826
N-[methoxy(propan-2-yloxy)phosphoryl]-N-methylpropan-2-amine
CID 58400114
bis(2-di(propan-2-yl)phosphoryloxypropane);methane
CID 160822091
[di(propan-2-yloxy)phosphinoselenoyldiselanyl]-di(propan-2-yloxy)-selanylidene-λ5-phosphane
CID 102273065
2-[amino(hydroxy)phosphinothioyl]oxybutane
CID 146586811
di(propan-2-yloxy)-prop-2-enoxy-sulfanylidene-λ5-phosphane
CID 54040298
[methoxy(propan-2-yloxy)phosphoryl]methyl acetate
CID 10965753
2-dimethylphosphoryloxypropane
CID 12572720

Frequently Asked Questions

What is the IUPAC name of 2-[amino(methoxy)phosphinothioyl]oxypropane?
The IUPAC name of 2-[amino(methoxy)phosphinothioyl]oxypropane (CID 14091506) is 2-[amino(methoxy)phosphinothioyl]oxypropane.
What is the SMILES notation for 2-[amino(methoxy)phosphinothioyl]oxypropane?
The canonical SMILES for 2-[amino(methoxy)phosphinothioyl]oxypropane is COP(N)(=S)OC(C)C.
What is the InChIKey of 2-[amino(methoxy)phosphinothioyl]oxypropane?
The InChIKey is PXFHGHAJXFEGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12NO2PS/c1-4(2)7-8(5,9)6-3/h4H,1-3H3,(H2,5,9).
What are the key properties of 2-[amino(methoxy)phosphinothioyl]oxypropane?
2-[amino(methoxy)phosphinothioyl]oxypropane has a molecular weight of 169.19 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(methoxy)phosphinothioyl]oxypropane is sourced from PubChem (CID 14091506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).