2-[amino(hydroxy)phosphinothioyl]oxybutane

C4H12NO2PS — CID 146586811

IUPAC2-[amino(hydroxy)phosphinothioyl]oxybutane
SMILESCCC(C)OP(N)(O)=S
InChIInChI=1S/C4H12NO2PS/c1-3-4(2)7-8(5,6)9/h4H,3H2,1-2H3,(H3,5,6,9)
InChIKeyDIXRZZAHLKFRIT-UHFFFAOYSA-N
MW169.19 g/mol
LogP0.98
Rot. Bonds3

About 2-[amino(hydroxy)phosphinothioyl]oxybutane

2-[amino(hydroxy)phosphinothioyl]oxybutane (PubChem CID 146586811) has the molecular formula C4H12NO2PS and a molecular weight of 169.19 g/mol. Its IUPAC name is 2-[amino(hydroxy)phosphinothioyl]oxybutane.

Molecular Properties

Compound Name2-[amino(hydroxy)phosphinothioyl]oxybutane
PubChem CID146586811
Molecular FormulaC4H12NO2PS
Molecular Weight169.19 g/mol
Exact Mass169.03
IUPAC Name2-[amino(hydroxy)phosphinothioyl]oxybutane
SMILESCCC(C)OP(N)(O)=S
InChIInChI=1S/C4H12NO2PS/c1-3-4(2)7-8(5,6)9/h4H,3H2,1-2H3,(H3,5,6,9)
InChIKeyDIXRZZAHLKFRIT-UHFFFAOYSA-N
XLogP0.98
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 50.98
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 2-[amino(hydroxy)phosphinothioyl]oxybutane?
The IUPAC name of 2-[amino(hydroxy)phosphinothioyl]oxybutane (CID 146586811) is 2-[amino(hydroxy)phosphinothioyl]oxybutane.
What is the SMILES notation for 2-[amino(hydroxy)phosphinothioyl]oxybutane?
The canonical SMILES for 2-[amino(hydroxy)phosphinothioyl]oxybutane is CCC(C)OP(N)(O)=S.
What is the InChIKey of 2-[amino(hydroxy)phosphinothioyl]oxybutane?
The InChIKey is DIXRZZAHLKFRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12NO2PS/c1-3-4(2)7-8(5,6)9/h4H,3H2,1-2H3,(H3,5,6,9).
What are the key properties of 2-[amino(hydroxy)phosphinothioyl]oxybutane?
2-[amino(hydroxy)phosphinothioyl]oxybutane has a molecular weight of 169.19 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(hydroxy)phosphinothioyl]oxybutane is sourced from PubChem (CID 146586811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).