bis(prop-2-enylsulfanyl)phosphinic acid

C6H11O2PS2 — CID 87571556

IUPACbis(prop-2-enylsulfanyl)phosphinic acid
SMILESC=CCSP(=O)(O)SCC=C
InChIInChI=1S/C6H11O2PS2/c1-3-5-10-9(7,8)11-6-4-2/h3-4H,1-2,5-6H2,(H,7,8)
InChIKeyIVYXTLMHRMBAAI-UHFFFAOYSA-N
MW210.26 g/mol
LogP2.93
Rot. Bonds6

About bis(prop-2-enylsulfanyl)phosphinic acid

bis(prop-2-enylsulfanyl)phosphinic acid (PubChem CID 87571556) has the molecular formula C6H11O2PS2 and a molecular weight of 210.26 g/mol. Its IUPAC name is bis(prop-2-enylsulfanyl)phosphinic acid.

Molecular Properties

Compound Namebis(prop-2-enylsulfanyl)phosphinic acid
PubChem CID87571556
Molecular FormulaC6H11O2PS2
Molecular Weight210.26 g/mol
Exact Mass209.99
IUPAC Namebis(prop-2-enylsulfanyl)phosphinic acid
SMILESC=CCSP(=O)(O)SCC=C
InChIInChI=1S/C6H11O2PS2/c1-3-5-10-9(7,8)11-6-4-2/h3-4H,1-2,5-6H2,(H,7,8)
InChIKeyIVYXTLMHRMBAAI-UHFFFAOYSA-N
XLogP2.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 bis(prop-2-enylsulfanyl)phosphinic acid?
The IUPAC name of bis(prop-2-enylsulfanyl)phosphinic acid (CID 87571556) is bis(prop-2-enylsulfanyl)phosphinic acid.
What is the SMILES notation for bis(prop-2-enylsulfanyl)phosphinic acid?
The canonical SMILES for bis(prop-2-enylsulfanyl)phosphinic acid is C=CCSP(=O)(O)SCC=C.
What is the InChIKey of bis(prop-2-enylsulfanyl)phosphinic acid?
The InChIKey is IVYXTLMHRMBAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O2PS2/c1-3-5-10-9(7,8)11-6-4-2/h3-4H,1-2,5-6H2,(H,7,8).
What are the key properties of bis(prop-2-enylsulfanyl)phosphinic acid?
bis(prop-2-enylsulfanyl)phosphinic acid has a molecular weight of 210.26 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enylsulfanyl)phosphinic acid is sourced from PubChem (CID 87571556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).