[[2,3-di(nonyl)phenoxy]-hydroxyphosphinothioyl] hypochlorite

C24H42ClO3PS — CID 88766584

IUPAC[[2,3-di(nonyl)phenoxy]-hydroxyphosphinothioyl] hypochlorite
SMILESCCCCCCCCCc1cccc(OP(O)(=S)OCl)c1CCCCCCCCC
InChIInChI=1S/C24H42ClO3PS/c1-3-5-7-9-11-13-15-18-22-19-17-21-24(27-29(26,30)28-25)23(22)20-16-14-12-10-8-6-4-2/h17,19,21H,3-16,18,20H2,1-2H3,(H,26,30)
InChIKeyJQCYBDPKOAXDEC-UHFFFAOYSA-N
MW477.09 g/mol
LogP9.04
Rot. Bonds19

About [[2,3-di(nonyl)phenoxy]-hydroxyphosphinothioyl] hypochlorite

[[2,3-di(nonyl)phenoxy]-hydroxyphosphinothioyl] hypochlorite (PubChem CID 88766584) has the molecular formula C24H42ClO3PS and a molecular weight of 477.09 g/mol. Its IUPAC name is [[2,3-di(nonyl)phenoxy]-hydroxyphosphinothioyl] hypochlorite.

Molecular Properties

Compound Name[[2,3-di(nonyl)phenoxy]-hydroxyphosphinothioyl] hypochlorite
PubChem CID88766584
Molecular FormulaC24H42ClO3PS
Molecular Weight477.09 g/mol
Exact Mass476.23
IUPAC Name[[2,3-di(nonyl)phenoxy]-hydroxyphosphinothioyl] hypochlorite
SMILESCCCCCCCCCc1cccc(OP(O)(=S)OCl)c1CCCCCCCCC
InChIInChI=1S/C24H42ClO3PS/c1-3-5-7-9-11-13-15-18-22-19-17-21-24(27-29(26,30)28-25)23(22)20-16-14-12-10-8-6-4-2/h17,19,21H,3-16,18,20H2,1-2H3,(H,26,30)
InChIKeyJQCYBDPKOAXDEC-UHFFFAOYSA-N
XLogP9.04
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.09
LogP ≤ 59.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(2,3-diheptylphenoxy)-dihydroxy-sulfanylidene-λ5-phosphane
CID 141318891
zinc (2,3-diheptylphenoxy)-oxido-sulfanylidene-sulfido-λ5-phosphane
CID 68945518
1-(2,3-dipentylphenoxy)-2,3-dipentylbenzene
CID 70140001
bis(2,3-dihexylphenyl) carbonate
CID 67179233
dihydroxy-sulfanylidene-(2,3,4-trihexylphenoxy)-λ5-phosphane
CID 23331135
[2,3-di(nonyl)phenoxy] dihydrogen phosphate
CID 88692553
CID 66641444
CID 66641444
(2-butyl-3-heptylphenyl) hydrogen carbonate
CID 67182591
(3-butyl-2-nonylphenyl) hydrogen carbonate
CID 67180940
1,2,3-tri(icosyl)benzene
CID 90987509
1-dodecyl-2-octyl-3-tridecylbenzene
CID 175505104
(2,3-diheptylphenyl) octyl carbonate
CID 67182532

Frequently Asked Questions

What is the IUPAC name of [[2,3-di(nonyl)phenoxy]-hydroxyphosphinothioyl] hypochlorite?
The IUPAC name of [[2,3-di(nonyl)phenoxy]-hydroxyphosphinothioyl] hypochlorite (CID 88766584) is [[2,3-di(nonyl)phenoxy]-hydroxyphosphinothioyl] hypochlorite.
What is the SMILES notation for [[2,3-di(nonyl)phenoxy]-hydroxyphosphinothioyl] hypochlorite?
The canonical SMILES for [[2,3-di(nonyl)phenoxy]-hydroxyphosphinothioyl] hypochlorite is CCCCCCCCCc1cccc(OP(O)(=S)OCl)c1CCCCCCCCC.
What is the InChIKey of [[2,3-di(nonyl)phenoxy]-hydroxyphosphinothioyl] hypochlorite?
The InChIKey is JQCYBDPKOAXDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42ClO3PS/c1-3-5-7-9-11-13-15-18-22-19-17-21-24(27-29(26,30)28-25)23(22)20-16-14-12-10-8-6-4-2/h17,19,21H,3-16,18,20H2,1-2H3,(H,26,30).
What are the key properties of [[2,3-di(nonyl)phenoxy]-hydroxyphosphinothioyl] hypochlorite?
[[2,3-di(nonyl)phenoxy]-hydroxyphosphinothioyl] hypochlorite has a molecular weight of 477.09 g/mol, XLogP of 9.04, 19 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[2,3-di(nonyl)phenoxy]-hydroxyphosphinothioyl] hypochlorite is sourced from PubChem (CID 88766584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).