propan-2-ylsulfanylphosphonous acid

C3H9O2PS — CID 154145280

IUPACpropan-2-ylsulfanylphosphonous acid
SMILESCC(C)SP(O)O
InChIInChI=1S/C3H9O2PS/c1-3(2)7-6(4)5/h3-5H,1-2H3
InChIKeyLFMUROJVIHXFQP-UHFFFAOYSA-N
MW140.14 g/mol
LogP1.34
Rot. Bonds2

About propan-2-ylsulfanylphosphonous acid

propan-2-ylsulfanylphosphonous acid (PubChem CID 154145280) has the molecular formula C3H9O2PS and a molecular weight of 140.14 g/mol. Its IUPAC name is propan-2-ylsulfanylphosphonous acid.

Molecular Properties

Compound Namepropan-2-ylsulfanylphosphonous acid
PubChem CID154145280
Molecular FormulaC3H9O2PS
Molecular Weight140.14 g/mol
Exact Mass140.01
IUPAC Namepropan-2-ylsulfanylphosphonous acid
SMILESCC(C)SP(O)O
InChIInChI=1S/C3H9O2PS/c1-3(2)7-6(4)5/h3-5H,1-2H3
InChIKeyLFMUROJVIHXFQP-UHFFFAOYSA-N
XLogP1.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propan-2-ylsulfanylphosphonous acid?
The IUPAC name of propan-2-ylsulfanylphosphonous acid (CID 154145280) is propan-2-ylsulfanylphosphonous acid.
What is the SMILES notation for propan-2-ylsulfanylphosphonous acid?
The canonical SMILES for propan-2-ylsulfanylphosphonous acid is CC(C)SP(O)O.
What is the InChIKey of propan-2-ylsulfanylphosphonous acid?
The InChIKey is LFMUROJVIHXFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9O2PS/c1-3(2)7-6(4)5/h3-5H,1-2H3.
What are the key properties of propan-2-ylsulfanylphosphonous acid?
propan-2-ylsulfanylphosphonous acid has a molecular weight of 140.14 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ylsulfanylphosphonous acid is sourced from PubChem (CID 154145280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).