prop-2-enylsulfanylphosphonic acid

C3H7O3PS — CID 23470657

IUPACprop-2-enylsulfanylphosphonic acid
SMILESC=CCSP(=O)(O)O
InChIInChI=1S/C3H7O3PS/c1-2-3-8-7(4,5)6/h2H,1,3H2,(H2,4,5,6)
InChIKeyYXYQDYCVMQAAAQ-UHFFFAOYSA-N
MW154.13 g/mol
LogP1.00
Rot. Bonds3

About prop-2-enylsulfanylphosphonic acid

prop-2-enylsulfanylphosphonic acid (PubChem CID 23470657) has the molecular formula C3H7O3PS and a molecular weight of 154.13 g/mol. Its IUPAC name is prop-2-enylsulfanylphosphonic acid.

Molecular Properties

Compound Nameprop-2-enylsulfanylphosphonic acid
PubChem CID23470657
Molecular FormulaC3H7O3PS
Molecular Weight154.13 g/mol
Exact Mass153.99
IUPAC Nameprop-2-enylsulfanylphosphonic acid
SMILESC=CCSP(=O)(O)O
InChIInChI=1S/C3H7O3PS/c1-2-3-8-7(4,5)6/h2H,1,3H2,(H2,4,5,6)
InChIKeyYXYQDYCVMQAAAQ-UHFFFAOYSA-N
XLogP1.00
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enylsulfanylphosphonic acid?
The IUPAC name of prop-2-enylsulfanylphosphonic acid (CID 23470657) is prop-2-enylsulfanylphosphonic acid.
What is the SMILES notation for prop-2-enylsulfanylphosphonic acid?
The canonical SMILES for prop-2-enylsulfanylphosphonic acid is C=CCSP(=O)(O)O.
What is the InChIKey of prop-2-enylsulfanylphosphonic acid?
The InChIKey is YXYQDYCVMQAAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O3PS/c1-2-3-8-7(4,5)6/h2H,1,3H2,(H2,4,5,6).
What are the key properties of prop-2-enylsulfanylphosphonic acid?
prop-2-enylsulfanylphosphonic acid has a molecular weight of 154.13 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enylsulfanylphosphonic acid is sourced from PubChem (CID 23470657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).