1,3,5-triethyl-2,4,6-tris(methylsulfanylmethyl)benzene

C18H30S3 — CID 101101592

IUPAC1,3,5-triethyl-2,4,6-tris(methylsulfanylmethyl)benzene
SMILESCCc1c(CSC)c(CC)c(CSC)c(CC)c1CSC
InChIInChI=1S/C18H30S3/c1-7-13-16(10-19-4)14(8-2)18(12-21-6)15(9-3)17(13)11-20-5/h7-12H2,1-6H3
InChIKeySMZWWFZBCJFRHD-UHFFFAOYSA-N
MW342.64 g/mol
LogP5.96
Rot. Bonds9

About 1,3,5-triethyl-2,4,6-tris(methylsulfanylmethyl)benzene

1,3,5-triethyl-2,4,6-tris(methylsulfanylmethyl)benzene (PubChem CID 101101592) has the molecular formula C18H30S3 and a molecular weight of 342.64 g/mol. Its IUPAC name is 1,3,5-triethyl-2,4,6-tris(methylsulfanylmethyl)benzene.

Molecular Properties

Compound Name1,3,5-triethyl-2,4,6-tris(methylsulfanylmethyl)benzene
PubChem CID101101592
Molecular FormulaC18H30S3
Molecular Weight342.64 g/mol
Exact Mass342.15
IUPAC Name1,3,5-triethyl-2,4,6-tris(methylsulfanylmethyl)benzene
SMILESCCc1c(CSC)c(CC)c(CSC)c(CC)c1CSC
InChIInChI=1S/C18H30S3/c1-7-13-16(10-19-4)14(8-2)18(12-21-6)15(9-3)17(13)11-20-5/h7-12H2,1-6H3
InChIKeySMZWWFZBCJFRHD-UHFFFAOYSA-N
XLogP5.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.64
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-triethyl-2,4,6-tris(methylsulfanylmethyl)benzene?
The IUPAC name of 1,3,5-triethyl-2,4,6-tris(methylsulfanylmethyl)benzene (CID 101101592) is 1,3,5-triethyl-2,4,6-tris(methylsulfanylmethyl)benzene.
What is the SMILES notation for 1,3,5-triethyl-2,4,6-tris(methylsulfanylmethyl)benzene?
The canonical SMILES for 1,3,5-triethyl-2,4,6-tris(methylsulfanylmethyl)benzene is CCc1c(CSC)c(CC)c(CSC)c(CC)c1CSC.
What is the InChIKey of 1,3,5-triethyl-2,4,6-tris(methylsulfanylmethyl)benzene?
The InChIKey is SMZWWFZBCJFRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30S3/c1-7-13-16(10-19-4)14(8-2)18(12-21-6)15(9-3)17(13)11-20-5/h7-12H2,1-6H3.
What are the key properties of 1,3,5-triethyl-2,4,6-tris(methylsulfanylmethyl)benzene?
1,3,5-triethyl-2,4,6-tris(methylsulfanylmethyl)benzene has a molecular weight of 342.64 g/mol, XLogP of 5.96, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triethyl-2,4,6-tris(methylsulfanylmethyl)benzene is sourced from PubChem (CID 101101592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).