tris(2,4-dimethylphenol);trihydroxy(sulfanylidene)-λ5-phosphane

C24H33O6PS — CID 71332905

IUPACtris(2,4-dimethylphenol);trihydroxy(sulfanylidene)-λ5-phosphane
SMILESCc1ccc(O)c(C)c1.Cc1ccc(O)c(C)c1.Cc1ccc(O)c(C)c1.OP(O)(O)=S
InChIInChI=1S/3C8H10O.H3O3PS/c3*1-6-3-4-8(9)7(2)5-6;1-4(2,3)5/h3*3-5,9H,1-2H3;(H3,1,2,3,5)
InChIKeyUVAFMVJKUFBRFP-UHFFFAOYSA-N
MW480.56 g/mol
LogP5.21
Rot. Bonds

About tris(2,4-dimethylphenol);trihydroxy(sulfanylidene)-λ5-phosphane

tris(2,4-dimethylphenol);trihydroxy(sulfanylidene)-λ5-phosphane (PubChem CID 71332905) has the molecular formula C24H33O6PS and a molecular weight of 480.56 g/mol. Its IUPAC name is tris(2,4-dimethylphenol);trihydroxy(sulfanylidene)-λ5-phosphane.

Molecular Properties

Compound Nametris(2,4-dimethylphenol);trihydroxy(sulfanylidene)-λ5-phosphane
PubChem CID71332905
Molecular FormulaC24H33O6PS
Molecular Weight480.56 g/mol
Exact Mass480.17
IUPAC Nametris(2,4-dimethylphenol);trihydroxy(sulfanylidene)-λ5-phosphane
SMILESCc1ccc(O)c(C)c1.Cc1ccc(O)c(C)c1.Cc1ccc(O)c(C)c1.OP(O)(O)=S
InChIInChI=1S/3C8H10O.H3O3PS/c3*1-6-3-4-8(9)7(2)5-6;1-4(2,3)5/h3*3-5,9H,1-2H3;(H3,1,2,3,5)
InChIKeyUVAFMVJKUFBRFP-UHFFFAOYSA-N
XLogP5.21
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500480.56
LogP ≤ 55.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethylphenol
CID 67713801
2,4-dimethylphenol;yttrium
CID 87733318
CID 175892141
CID 175892141
CID 172763014
CID 172763014
2,4-dimethylphenol;(2Z,4Z)-hexa-2,4-diene
CID 142839370
2,4-dimethylphenol;2,6-dimethylphenol;methane
CID 162172477
tert-butylphosphane;chromium;bis(2,4-dimethylphenol);hydrochloride
CID 87866072
2,3-dimethylphenol;2,4-dimethylphenol
CID 67827029
4-(2,4-dimethylphenyl)-2-methylphenol
CID 53218818
2,4-dimethylphenol;1-methylpyrrolidine
CID 171834752
4-amino-2-(2,4-dimethylphenyl)phenol
CID 22706633
chromium;bis(2,4-dimethylphenol);phenylphosphane;hydrochloride
CID 87866037

Frequently Asked Questions

What is the IUPAC name of tris(2,4-dimethylphenol);trihydroxy(sulfanylidene)-λ5-phosphane?
The IUPAC name of tris(2,4-dimethylphenol);trihydroxy(sulfanylidene)-λ5-phosphane (CID 71332905) is tris(2,4-dimethylphenol);trihydroxy(sulfanylidene)-λ5-phosphane.
What is the SMILES notation for tris(2,4-dimethylphenol);trihydroxy(sulfanylidene)-λ5-phosphane?
The canonical SMILES for tris(2,4-dimethylphenol);trihydroxy(sulfanylidene)-λ5-phosphane is Cc1ccc(O)c(C)c1.Cc1ccc(O)c(C)c1.Cc1ccc(O)c(C)c1.OP(O)(O)=S.
What is the InChIKey of tris(2,4-dimethylphenol);trihydroxy(sulfanylidene)-λ5-phosphane?
The InChIKey is UVAFMVJKUFBRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H10O.H3O3PS/c3*1-6-3-4-8(9)7(2)5-6;1-4(2,3)5/h3*3-5,9H,1-2H3;(H3,1,2,3,5).
What are the key properties of tris(2,4-dimethylphenol);trihydroxy(sulfanylidene)-λ5-phosphane?
tris(2,4-dimethylphenol);trihydroxy(sulfanylidene)-λ5-phosphane has a molecular weight of 480.56 g/mol, XLogP of 5.21, 0 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,4-dimethylphenol);trihydroxy(sulfanylidene)-λ5-phosphane is sourced from PubChem (CID 71332905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).