1-ethylsulfanyl-4-(4-ethylsulfanyl-2,3,5,6-tetramethylphenyl)sulfanyl-2,3,5,6-tetramethylbenzene

C24H34S3 — CID 139623515

IUPAC1-ethylsulfanyl-4-(4-ethylsulfanyl-2,3,5,6-tetramethylphenyl)sulfanyl-2,3,5,6-tetramethylbenzene
SMILESCCSc1c(C)c(C)c(Sc2c(C)c(C)c(SCC)c(C)c2C)c(C)c1C
InChIInChI=1S/C24H34S3/c1-11-25-21-13(3)17(7)23(18(8)14(21)4)27-24-19(9)15(5)22(26-12-2)16(6)20(24)10/h11-12H2,1-10H3
InChIKeyOYNDASCLJWHHAB-UHFFFAOYSA-N
MW418.74 g/mol
LogP8.53
Rot. Bonds6

About 1-ethylsulfanyl-4-(4-ethylsulfanyl-2,3,5,6-tetramethylphenyl)sulfanyl-2,3,5,6-tetramethylbenzene

1-ethylsulfanyl-4-(4-ethylsulfanyl-2,3,5,6-tetramethylphenyl)sulfanyl-2,3,5,6-tetramethylbenzene (PubChem CID 139623515) has the molecular formula C24H34S3 and a molecular weight of 418.74 g/mol. Its IUPAC name is 1-ethylsulfanyl-4-(4-ethylsulfanyl-2,3,5,6-tetramethylphenyl)sulfanyl-2,3,5,6-tetramethylbenzene.

Molecular Properties

Compound Name1-ethylsulfanyl-4-(4-ethylsulfanyl-2,3,5,6-tetramethylphenyl)sulfanyl-2,3,5,6-tetramethylbenzene
PubChem CID139623515
Molecular FormulaC24H34S3
Molecular Weight418.74 g/mol
Exact Mass418.18
IUPAC Name1-ethylsulfanyl-4-(4-ethylsulfanyl-2,3,5,6-tetramethylphenyl)sulfanyl-2,3,5,6-tetramethylbenzene
SMILESCCSc1c(C)c(C)c(Sc2c(C)c(C)c(SCC)c(C)c2C)c(C)c1C
InChIInChI=1S/C24H34S3/c1-11-25-21-13(3)17(7)23(18(8)14(21)4)27-24-19(9)15(5)22(26-12-2)16(6)20(24)10/h11-12H2,1-10H3
InChIKeyOYNDASCLJWHHAB-UHFFFAOYSA-N
XLogP8.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.74
LogP ≤ 58.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-4-(4-ethylsulfanyl-2,3,5,6-tetramethylphenyl)sulfanyl-2,3,5,6-tetramethylbenzene?
The IUPAC name of 1-ethylsulfanyl-4-(4-ethylsulfanyl-2,3,5,6-tetramethylphenyl)sulfanyl-2,3,5,6-tetramethylbenzene (CID 139623515) is 1-ethylsulfanyl-4-(4-ethylsulfanyl-2,3,5,6-tetramethylphenyl)sulfanyl-2,3,5,6-tetramethylbenzene.
What is the SMILES notation for 1-ethylsulfanyl-4-(4-ethylsulfanyl-2,3,5,6-tetramethylphenyl)sulfanyl-2,3,5,6-tetramethylbenzene?
The canonical SMILES for 1-ethylsulfanyl-4-(4-ethylsulfanyl-2,3,5,6-tetramethylphenyl)sulfanyl-2,3,5,6-tetramethylbenzene is CCSc1c(C)c(C)c(Sc2c(C)c(C)c(SCC)c(C)c2C)c(C)c1C.
What is the InChIKey of 1-ethylsulfanyl-4-(4-ethylsulfanyl-2,3,5,6-tetramethylphenyl)sulfanyl-2,3,5,6-tetramethylbenzene?
The InChIKey is OYNDASCLJWHHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34S3/c1-11-25-21-13(3)17(7)23(18(8)14(21)4)27-24-19(9)15(5)22(26-12-2)16(6)20(24)10/h11-12H2,1-10H3.
What are the key properties of 1-ethylsulfanyl-4-(4-ethylsulfanyl-2,3,5,6-tetramethylphenyl)sulfanyl-2,3,5,6-tetramethylbenzene?
1-ethylsulfanyl-4-(4-ethylsulfanyl-2,3,5,6-tetramethylphenyl)sulfanyl-2,3,5,6-tetramethylbenzene has a molecular weight of 418.74 g/mol, XLogP of 8.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-4-(4-ethylsulfanyl-2,3,5,6-tetramethylphenyl)sulfanyl-2,3,5,6-tetramethylbenzene is sourced from PubChem (CID 139623515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).