1,2,4,5-tetramethyl-3-methylsulfanyl-6-(2,3,5,6-tetramethyl-4-methylsulfanylphenyl)sulfanylbenzene

C22H30S3 — CID 139623586

IUPAC1,2,4,5-tetramethyl-3-methylsulfanyl-6-(2,3,5,6-tetramethyl-4-methylsulfanylphenyl)sulfanylbenzene
SMILESCSc1c(C)c(C)c(Sc2c(C)c(C)c(SC)c(C)c2C)c(C)c1C
InChIInChI=1S/C22H30S3/c1-11-15(5)21(16(6)12(2)19(11)23-9)25-22-17(7)13(3)20(24-10)14(4)18(22)8/h1-10H3
InChIKeyMQSZGZOHVCRTGJ-UHFFFAOYSA-N
MW390.68 g/mol
LogP7.75
Rot. Bonds4

About 1,2,4,5-tetramethyl-3-methylsulfanyl-6-(2,3,5,6-tetramethyl-4-methylsulfanylphenyl)sulfanylbenzene

1,2,4,5-tetramethyl-3-methylsulfanyl-6-(2,3,5,6-tetramethyl-4-methylsulfanylphenyl)sulfanylbenzene (PubChem CID 139623586) has the molecular formula C22H30S3 and a molecular weight of 390.68 g/mol. Its IUPAC name is 1,2,4,5-tetramethyl-3-methylsulfanyl-6-(2,3,5,6-tetramethyl-4-methylsulfanylphenyl)sulfanylbenzene.

Molecular Properties

Compound Name1,2,4,5-tetramethyl-3-methylsulfanyl-6-(2,3,5,6-tetramethyl-4-methylsulfanylphenyl)sulfanylbenzene
PubChem CID139623586
Molecular FormulaC22H30S3
Molecular Weight390.68 g/mol
Exact Mass390.15
IUPAC Name1,2,4,5-tetramethyl-3-methylsulfanyl-6-(2,3,5,6-tetramethyl-4-methylsulfanylphenyl)sulfanylbenzene
SMILESCSc1c(C)c(C)c(Sc2c(C)c(C)c(SC)c(C)c2C)c(C)c1C
InChIInChI=1S/C22H30S3/c1-11-15(5)21(16(6)12(2)19(11)23-9)25-22-17(7)13(3)20(24-10)14(4)18(22)8/h1-10H3
InChIKeyMQSZGZOHVCRTGJ-UHFFFAOYSA-N
XLogP7.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.68
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetramethyl-3-methylsulfanyl-6-(2,3,5,6-tetramethyl-4-methylsulfanylphenyl)sulfanylbenzene?
The IUPAC name of 1,2,4,5-tetramethyl-3-methylsulfanyl-6-(2,3,5,6-tetramethyl-4-methylsulfanylphenyl)sulfanylbenzene (CID 139623586) is 1,2,4,5-tetramethyl-3-methylsulfanyl-6-(2,3,5,6-tetramethyl-4-methylsulfanylphenyl)sulfanylbenzene.
What is the SMILES notation for 1,2,4,5-tetramethyl-3-methylsulfanyl-6-(2,3,5,6-tetramethyl-4-methylsulfanylphenyl)sulfanylbenzene?
The canonical SMILES for 1,2,4,5-tetramethyl-3-methylsulfanyl-6-(2,3,5,6-tetramethyl-4-methylsulfanylphenyl)sulfanylbenzene is CSc1c(C)c(C)c(Sc2c(C)c(C)c(SC)c(C)c2C)c(C)c1C.
What is the InChIKey of 1,2,4,5-tetramethyl-3-methylsulfanyl-6-(2,3,5,6-tetramethyl-4-methylsulfanylphenyl)sulfanylbenzene?
The InChIKey is MQSZGZOHVCRTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30S3/c1-11-15(5)21(16(6)12(2)19(11)23-9)25-22-17(7)13(3)20(24-10)14(4)18(22)8/h1-10H3.
What are the key properties of 1,2,4,5-tetramethyl-3-methylsulfanyl-6-(2,3,5,6-tetramethyl-4-methylsulfanylphenyl)sulfanylbenzene?
1,2,4,5-tetramethyl-3-methylsulfanyl-6-(2,3,5,6-tetramethyl-4-methylsulfanylphenyl)sulfanylbenzene has a molecular weight of 390.68 g/mol, XLogP of 7.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetramethyl-3-methylsulfanyl-6-(2,3,5,6-tetramethyl-4-methylsulfanylphenyl)sulfanylbenzene is sourced from PubChem (CID 139623586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).