2-[4-[4-(2-hydroxyethylsulfanyl)-2,3,5,6-tetramethylphenyl]sulfanyl-2,3,5,6-tetramethylphenyl]sulfanylethanol

C24H34O2S3 — CID 139950677

IUPAC2-[4-[4-(2-hydroxyethylsulfanyl)-2,3,5,6-tetramethylphenyl]sulfanyl-2,3,5,6-tetramethylphenyl]sulfanylethanol
SMILESCc1c(C)c(Sc2c(C)c(C)c(SCCO)c(C)c2C)c(C)c(C)c1SCCO
InChIInChI=1S/C24H34O2S3/c1-13-17(5)23(18(6)14(2)21(13)27-11-9-25)29-24-19(7)15(3)22(28-12-10-26)16(4)20(24)8/h25-26H,9-12H2,1-8H3
InChIKeyOGNSPJGICCXVAH-UHFFFAOYSA-N
MW450.74 g/mol
LogP6.47
Rot. Bonds8

About 2-[4-[4-(2-hydroxyethylsulfanyl)-2,3,5,6-tetramethylphenyl]sulfanyl-2,3,5,6-tetramethylphenyl]sulfanylethanol

2-[4-[4-(2-hydroxyethylsulfanyl)-2,3,5,6-tetramethylphenyl]sulfanyl-2,3,5,6-tetramethylphenyl]sulfanylethanol (PubChem CID 139950677) has the molecular formula C24H34O2S3 and a molecular weight of 450.74 g/mol. Its IUPAC name is 2-[4-[4-(2-hydroxyethylsulfanyl)-2,3,5,6-tetramethylphenyl]sulfanyl-2,3,5,6-tetramethylphenyl]sulfanylethanol.

Molecular Properties

Compound Name2-[4-[4-(2-hydroxyethylsulfanyl)-2,3,5,6-tetramethylphenyl]sulfanyl-2,3,5,6-tetramethylphenyl]sulfanylethanol
PubChem CID139950677
Molecular FormulaC24H34O2S3
Molecular Weight450.74 g/mol
Exact Mass450.17
IUPAC Name2-[4-[4-(2-hydroxyethylsulfanyl)-2,3,5,6-tetramethylphenyl]sulfanyl-2,3,5,6-tetramethylphenyl]sulfanylethanol
SMILESCc1c(C)c(Sc2c(C)c(C)c(SCCO)c(C)c2C)c(C)c(C)c1SCCO
InChIInChI=1S/C24H34O2S3/c1-13-17(5)23(18(6)14(2)21(13)27-11-9-25)29-24-19(7)15(3)22(28-12-10-26)16(4)20(24)8/h25-26H,9-12H2,1-8H3
InChIKeyOGNSPJGICCXVAH-UHFFFAOYSA-N
XLogP6.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.74
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-hydroxyethylsulfanyl)-2,3,5,6-tetramethylphenyl]sulfanyl-2,3,5,6-tetramethylphenyl]sulfanylethanol?
The IUPAC name of 2-[4-[4-(2-hydroxyethylsulfanyl)-2,3,5,6-tetramethylphenyl]sulfanyl-2,3,5,6-tetramethylphenyl]sulfanylethanol (CID 139950677) is 2-[4-[4-(2-hydroxyethylsulfanyl)-2,3,5,6-tetramethylphenyl]sulfanyl-2,3,5,6-tetramethylphenyl]sulfanylethanol.
What is the SMILES notation for 2-[4-[4-(2-hydroxyethylsulfanyl)-2,3,5,6-tetramethylphenyl]sulfanyl-2,3,5,6-tetramethylphenyl]sulfanylethanol?
The canonical SMILES for 2-[4-[4-(2-hydroxyethylsulfanyl)-2,3,5,6-tetramethylphenyl]sulfanyl-2,3,5,6-tetramethylphenyl]sulfanylethanol is Cc1c(C)c(Sc2c(C)c(C)c(SCCO)c(C)c2C)c(C)c(C)c1SCCO.
What is the InChIKey of 2-[4-[4-(2-hydroxyethylsulfanyl)-2,3,5,6-tetramethylphenyl]sulfanyl-2,3,5,6-tetramethylphenyl]sulfanylethanol?
The InChIKey is OGNSPJGICCXVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O2S3/c1-13-17(5)23(18(6)14(2)21(13)27-11-9-25)29-24-19(7)15(3)22(28-12-10-26)16(4)20(24)8/h25-26H,9-12H2,1-8H3.
What are the key properties of 2-[4-[4-(2-hydroxyethylsulfanyl)-2,3,5,6-tetramethylphenyl]sulfanyl-2,3,5,6-tetramethylphenyl]sulfanylethanol?
2-[4-[4-(2-hydroxyethylsulfanyl)-2,3,5,6-tetramethylphenyl]sulfanyl-2,3,5,6-tetramethylphenyl]sulfanylethanol has a molecular weight of 450.74 g/mol, XLogP of 6.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-hydroxyethylsulfanyl)-2,3,5,6-tetramethylphenyl]sulfanyl-2,3,5,6-tetramethylphenyl]sulfanylethanol is sourced from PubChem (CID 139950677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).