2-[2-[4-[2-[4-[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]phenyl]propan-2-yl]phenyl]sulfanylethylsulfanyl]ethanol

C23H32O2S4 — CID 68572926

IUPAC2-[2-[4-[2-[4-[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]phenyl]propan-2-yl]phenyl]sulfanylethylsulfanyl]ethanol
SMILESCC(C)(c1ccc(SCCSCCO)cc1)c1ccc(SCCSCCO)cc1
InChIInChI=1S/C23H32O2S4/c1-23(2,19-3-7-21(8-4-19)28-17-15-26-13-11-24)20-5-9-22(10-6-20)29-18-16-27-14-12-25/h3-10,24-25H,11-18H2,1-2H3
InChIKeyGCVUAVIGEBDTPL-UHFFFAOYSA-N
MW468.78 g/mol
LogP5.65
Rot. Bonds14

About 2-[2-[4-[2-[4-[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]phenyl]propan-2-yl]phenyl]sulfanylethylsulfanyl]ethanol

2-[2-[4-[2-[4-[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]phenyl]propan-2-yl]phenyl]sulfanylethylsulfanyl]ethanol (PubChem CID 68572926) has the molecular formula C23H32O2S4 and a molecular weight of 468.78 g/mol. Its IUPAC name is 2-[2-[4-[2-[4-[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]phenyl]propan-2-yl]phenyl]sulfanylethylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[2-[4-[2-[4-[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]phenyl]propan-2-yl]phenyl]sulfanylethylsulfanyl]ethanol
PubChem CID68572926
Molecular FormulaC23H32O2S4
Molecular Weight468.78 g/mol
Exact Mass468.13
IUPAC Name2-[2-[4-[2-[4-[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]phenyl]propan-2-yl]phenyl]sulfanylethylsulfanyl]ethanol
SMILESCC(C)(c1ccc(SCCSCCO)cc1)c1ccc(SCCSCCO)cc1
InChIInChI=1S/C23H32O2S4/c1-23(2,19-3-7-21(8-4-19)28-17-15-26-13-11-24)20-5-9-22(10-6-20)29-18-16-27-14-12-25/h3-10,24-25H,11-18H2,1-2H3
InChIKeyGCVUAVIGEBDTPL-UHFFFAOYSA-N
XLogP5.65
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.78
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-[4-[2-[4-[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]phenyl]propan-2-yl]phenyl]sulfanylethylsulfanyl]ethanol with MolForge

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Related Compounds

1-tert-butyl-4-[2-(4-tert-butylphenyl)sulfanylethylsulfanyl]benzene
CID 12781251
2-[2-(4-tert-butylphenyl)sulfanylethoxy]ethanol
CID 61076775
2-[2-[3-(trifluoromethyl)phenyl]sulfanylethylsulfanyl]ethanol
CID 43417001
2-[4-[4-(2-hydroxyethylsulfanyl)phenyl]phenyl]sulfanylethanol
CID 2192654
1-tert-butyl-4-propylsulfanylbenzene
CID 86200196
1,2-bis[4-(2-hydroxyethylsulfanyl)phenyl]-2,2-dimethoxyethanone
CID 59816654
2-[2-[4-[2-[4-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethylsulfanyl]phenyl]propan-2-yl]phenyl]sulfanylethoxy]ethyl 2-methylprop-2-enoate
CID 139719463
2-[4-[2-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]propan-2-yl]phenyl]-2-methylpropan-1-ol
CID 14440449
5-(4-tert-butylphenyl)sulfanylpentan-2-one
CID 43425963
4-(4-tert-butylphenyl)sulfanylbutanoic acid
CID 20986950
1,4-bis(2-methylsulfanylethylsulfanyl)benzene
CID 22897584
3-[4-[2-[4-(3-hydroxypropyl)phenyl]propan-2-yl]phenyl]propan-1-ol
CID 54337384

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[2-[4-[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]phenyl]propan-2-yl]phenyl]sulfanylethylsulfanyl]ethanol?
The IUPAC name of 2-[2-[4-[2-[4-[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]phenyl]propan-2-yl]phenyl]sulfanylethylsulfanyl]ethanol (CID 68572926) is 2-[2-[4-[2-[4-[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]phenyl]propan-2-yl]phenyl]sulfanylethylsulfanyl]ethanol.
What is the SMILES notation for 2-[2-[4-[2-[4-[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]phenyl]propan-2-yl]phenyl]sulfanylethylsulfanyl]ethanol?
The canonical SMILES for 2-[2-[4-[2-[4-[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]phenyl]propan-2-yl]phenyl]sulfanylethylsulfanyl]ethanol is CC(C)(c1ccc(SCCSCCO)cc1)c1ccc(SCCSCCO)cc1.
What is the InChIKey of 2-[2-[4-[2-[4-[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]phenyl]propan-2-yl]phenyl]sulfanylethylsulfanyl]ethanol?
The InChIKey is GCVUAVIGEBDTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O2S4/c1-23(2,19-3-7-21(8-4-19)28-17-15-26-13-11-24)20-5-9-22(10-6-20)29-18-16-27-14-12-25/h3-10,24-25H,11-18H2,1-2H3.
What are the key properties of 2-[2-[4-[2-[4-[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]phenyl]propan-2-yl]phenyl]sulfanylethylsulfanyl]ethanol?
2-[2-[4-[2-[4-[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]phenyl]propan-2-yl]phenyl]sulfanylethylsulfanyl]ethanol has a molecular weight of 468.78 g/mol, XLogP of 5.65, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[2-[4-[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]phenyl]propan-2-yl]phenyl]sulfanylethylsulfanyl]ethanol is sourced from PubChem (CID 68572926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).