decylsulfanylphosphonic acid

C10H23O3PS — CID 21217457

IUPACdecylsulfanylphosphonic acid
SMILESCCCCCCCCCCSP(=O)(O)O
InChIInChI=1S/C10H23O3PS/c1-2-3-4-5-6-7-8-9-10-15-14(11,12)13/h2-10H2,1H3,(H2,11,12,13)
InChIKeyURXVODLSIQYSJR-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.95
Rot. Bonds10

About decylsulfanylphosphonic acid

decylsulfanylphosphonic acid (PubChem CID 21217457) has the molecular formula C10H23O3PS and a molecular weight of 254.33 g/mol. Its IUPAC name is decylsulfanylphosphonic acid.

Molecular Properties

Compound Namedecylsulfanylphosphonic acid
PubChem CID21217457
Molecular FormulaC10H23O3PS
Molecular Weight254.33 g/mol
Exact Mass254.11
IUPAC Namedecylsulfanylphosphonic acid
SMILESCCCCCCCCCCSP(=O)(O)O
InChIInChI=1S/C10H23O3PS/c1-2-3-4-5-6-7-8-9-10-15-14(11,12)13/h2-10H2,1H3,(H2,11,12,13)
InChIKeyURXVODLSIQYSJR-UHFFFAOYSA-N
XLogP3.95
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dihydroxy-sulfanylidene-tetradecylsulfanyl-λ5-phosphane
CID 21217456
1-dichlorophosphorylsulfanylhexane
CID 19915290
dodecane;phosphoric acid
CID 88801558
bis(1-ethylsulfanylhexadecane);phosphoric acid
CID 87835092
bis(1-ethylsulfanyloctane);phosphoric acid
CID 87835003
butoxy(octylsulfanyl)phosphinic acid;zinc
CID 175444603
2-octadecylsulfanylethylphosphonic acid
CID 71424321
methane;pentadecane;phosphoric acid;hydrate
CID 173085689
ethane;henicosane;phosphoric acid;hydrate
CID 173085892
1-[decylsulfanyl(dodecoxy)phosphoryl]oxydodecane
CID 88718866
1-[decoxy(octylsulfanyl)phosphoryl]oxydecane
CID 88718944
octane;sulfanediol
CID 158810031

Frequently Asked Questions

What is the IUPAC name of decylsulfanylphosphonic acid?
The IUPAC name of decylsulfanylphosphonic acid (CID 21217457) is decylsulfanylphosphonic acid.
What is the SMILES notation for decylsulfanylphosphonic acid?
The canonical SMILES for decylsulfanylphosphonic acid is CCCCCCCCCCSP(=O)(O)O.
What is the InChIKey of decylsulfanylphosphonic acid?
The InChIKey is URXVODLSIQYSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23O3PS/c1-2-3-4-5-6-7-8-9-10-15-14(11,12)13/h2-10H2,1H3,(H2,11,12,13).
What are the key properties of decylsulfanylphosphonic acid?
decylsulfanylphosphonic acid has a molecular weight of 254.33 g/mol, XLogP of 3.95, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decylsulfanylphosphonic acid is sourced from PubChem (CID 21217457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).