2-tetracosylsulfanylphenol

C30H54OS — CID 139712021

IUPAC2-tetracosylsulfanylphenol
SMILESCCCCCCCCCCCCCCCCCCCCCCCCSc1ccccc1O
InChIInChI=1S/C30H54OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-28-32-30-27-24-23-26-29(30)31/h23-24,26-27,31H,2-22,25,28H2,1H3
InChIKeyFSSADBCKOJGKRA-UHFFFAOYSA-N
MW462.83 g/mol
LogP11.09
Rot. Bonds24

About 2-tetracosylsulfanylphenol

2-tetracosylsulfanylphenol (PubChem CID 139712021) has the molecular formula C30H54OS and a molecular weight of 462.83 g/mol. Its IUPAC name is 2-tetracosylsulfanylphenol.

Molecular Properties

Compound Name2-tetracosylsulfanylphenol
PubChem CID139712021
Molecular FormulaC30H54OS
Molecular Weight462.83 g/mol
Exact Mass462.39
IUPAC Name2-tetracosylsulfanylphenol
SMILESCCCCCCCCCCCCCCCCCCCCCCCCSc1ccccc1O
InChIInChI=1S/C30H54OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-28-32-30-27-24-23-26-29(30)31/h23-24,26-27,31H,2-22,25,28H2,1H3
InChIKeyFSSADBCKOJGKRA-UHFFFAOYSA-N
XLogP11.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.83
LogP ≤ 511.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis(tricosylsulfanyl)benzene
CID 91011021
1-methyl-2-undecylsulfanylbenzene
CID 173415196
2-hexylsulfanyl-5-(4-hexylsulfanyl-2,5-dihydroxyphenyl)benzene-1,4-diol
CID 53240749
1-methylsulfanyl-2-pentylsulfanylbenzene
CID 91655922
2-(4-aminobutylsulfanyl)phenol
CID 84667847
1-bromo-2-pentylsulfanylbenzene
CID 91658468
2-propyl-1,3-bis(tetradecylsulfanyl)benzene
CID 91139382
2,13-bis(decylsulfanyl)tricyclo[12.8.0.016,21]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 154692254
2-hept-2-enylsulfanylphenol
CID 54274427
nickel;octylsulfanylbenzene
CID 157277722
1-pentylsulfanyl-2-prop-2-enylbenzene
CID 91658124
3-dodecylsulfanyl-2-methylaniline
CID 79128711

Frequently Asked Questions

What is the IUPAC name of 2-tetracosylsulfanylphenol?
The IUPAC name of 2-tetracosylsulfanylphenol (CID 139712021) is 2-tetracosylsulfanylphenol.
What is the SMILES notation for 2-tetracosylsulfanylphenol?
The canonical SMILES for 2-tetracosylsulfanylphenol is CCCCCCCCCCCCCCCCCCCCCCCCSc1ccccc1O.
What is the InChIKey of 2-tetracosylsulfanylphenol?
The InChIKey is FSSADBCKOJGKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H54OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-28-32-30-27-24-23-26-29(30)31/h23-24,26-27,31H,2-22,25,28H2,1H3.
What are the key properties of 2-tetracosylsulfanylphenol?
2-tetracosylsulfanylphenol has a molecular weight of 462.83 g/mol, XLogP of 11.09, 24 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tetracosylsulfanylphenol is sourced from PubChem (CID 139712021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).