dihydroxy-sulfanylidene-(2,3,4-trihexylphenoxy)-λ5-phosphane

C24H43O3PS — CID 23331135

IUPACdihydroxy-sulfanylidene-(2,3,4-trihexylphenoxy)-λ5-phosphane
SMILESCCCCCCc1ccc(OP(O)(O)=S)c(CCCCCC)c1CCCCCC
InChIInChI=1S/C24H43O3PS/c1-4-7-10-13-16-21-19-20-24(27-28(25,26)29)23(18-15-12-9-6-3)22(21)17-14-11-8-5-2/h19-20H,4-18H2,1-3H3,(H2,25,26,29)
InChIKeyAJAJIMRWUJTHHP-UHFFFAOYSA-N
MW442.65 g/mol
LogP7.64
Rot. Bonds17

About dihydroxy-sulfanylidene-(2,3,4-trihexylphenoxy)-λ5-phosphane

dihydroxy-sulfanylidene-(2,3,4-trihexylphenoxy)-λ5-phosphane (PubChem CID 23331135) has the molecular formula C24H43O3PS and a molecular weight of 442.65 g/mol. Its IUPAC name is dihydroxy-sulfanylidene-(2,3,4-trihexylphenoxy)-λ5-phosphane.

Molecular Properties

Compound Namedihydroxy-sulfanylidene-(2,3,4-trihexylphenoxy)-λ5-phosphane
PubChem CID23331135
Molecular FormulaC24H43O3PS
Molecular Weight442.65 g/mol
Exact Mass442.27
IUPAC Namedihydroxy-sulfanylidene-(2,3,4-trihexylphenoxy)-λ5-phosphane
SMILESCCCCCCc1ccc(OP(O)(O)=S)c(CCCCCC)c1CCCCCC
InChIInChI=1S/C24H43O3PS/c1-4-7-10-13-16-21-19-20-24(27-28(25,26)29)23(18-15-12-9-6-3)22(21)17-14-11-8-5-2/h19-20H,4-18H2,1-3H3,(H2,25,26,29)
InChIKeyAJAJIMRWUJTHHP-UHFFFAOYSA-N
XLogP7.64
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.65
LogP ≤ 57.64
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

(2,3-diheptylphenoxy)-dihydroxy-sulfanylidene-λ5-phosphane
CID 141318891
[2,3,4-tri(nonyl)phenyl] hydrogen sulfite
CID 154149359
phosphane;tris([2,3,4-tri(nonyl)phenyl] dihydrogen phosphite)
CID 172726216
[[2,3-di(nonyl)phenoxy]-hydroxyphosphinothioyl] hypochlorite
CID 88766584
(2,3,4-tripentylphenyl) dihydrogen phosphite
CID 141324371
(4-ethyl-2,3-diheptylphenyl) hydrogen carbonate
CID 67178892
3,4-diheptyl-2-hexylphenol
CID 66866250
zinc (2,3-diheptylphenoxy)-oxido-sulfanylidene-sulfido-λ5-phosphane
CID 68945518
4-butyl-2-decyl-3-octylphenol
CID 66866306
2,3-dibutyl-4-nonylphenol
CID 23325139
1,2,3,4-tetrabutylbenzene
CID 11220391
(2,3-dihexyl-6-nonylphenyl)methanamine
CID 161402444

Frequently Asked Questions

What is the IUPAC name of dihydroxy-sulfanylidene-(2,3,4-trihexylphenoxy)-λ5-phosphane?
The IUPAC name of dihydroxy-sulfanylidene-(2,3,4-trihexylphenoxy)-λ5-phosphane (CID 23331135) is dihydroxy-sulfanylidene-(2,3,4-trihexylphenoxy)-λ5-phosphane.
What is the SMILES notation for dihydroxy-sulfanylidene-(2,3,4-trihexylphenoxy)-λ5-phosphane?
The canonical SMILES for dihydroxy-sulfanylidene-(2,3,4-trihexylphenoxy)-λ5-phosphane is CCCCCCc1ccc(OP(O)(O)=S)c(CCCCCC)c1CCCCCC.
What is the InChIKey of dihydroxy-sulfanylidene-(2,3,4-trihexylphenoxy)-λ5-phosphane?
The InChIKey is AJAJIMRWUJTHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43O3PS/c1-4-7-10-13-16-21-19-20-24(27-28(25,26)29)23(18-15-12-9-6-3)22(21)17-14-11-8-5-2/h19-20H,4-18H2,1-3H3,(H2,25,26,29).
What are the key properties of dihydroxy-sulfanylidene-(2,3,4-trihexylphenoxy)-λ5-phosphane?
dihydroxy-sulfanylidene-(2,3,4-trihexylphenoxy)-λ5-phosphane has a molecular weight of 442.65 g/mol, XLogP of 7.64, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-sulfanylidene-(2,3,4-trihexylphenoxy)-λ5-phosphane is sourced from PubChem (CID 23331135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).