1,2,4-tris(propan-2-ylsulfanyl)benzene

C15H24S3 — CID 12505028

IUPAC1,2,4-tris(propan-2-ylsulfanyl)benzene
SMILESCC(C)Sc1ccc(SC(C)C)c(SC(C)C)c1
InChIInChI=1S/C15H24S3/c1-10(2)16-13-7-8-14(17-11(3)4)15(9-13)18-12(5)6/h7-12H,1-6H3
InChIKeyROZKARCFTBPYAD-UHFFFAOYSA-N
MW300.56 g/mol
LogP6.19
Rot. Bonds6

About 1,2,4-tris(propan-2-ylsulfanyl)benzene

1,2,4-tris(propan-2-ylsulfanyl)benzene (PubChem CID 12505028) has the molecular formula C15H24S3 and a molecular weight of 300.56 g/mol. Its IUPAC name is 1,2,4-tris(propan-2-ylsulfanyl)benzene.

Molecular Properties

Compound Name1,2,4-tris(propan-2-ylsulfanyl)benzene
PubChem CID12505028
Molecular FormulaC15H24S3
Molecular Weight300.56 g/mol
Exact Mass300.10
IUPAC Name1,2,4-tris(propan-2-ylsulfanyl)benzene
SMILESCC(C)Sc1ccc(SC(C)C)c(SC(C)C)c1
InChIInChI=1S/C15H24S3/c1-10(2)16-13-7-8-14(17-11(3)4)15(9-13)18-12(5)6/h7-12H,1-6H3
InChIKeyROZKARCFTBPYAD-UHFFFAOYSA-N
XLogP6.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.56
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,4-tris(propan-2-ylsulfanyl)benzene?
The IUPAC name of 1,2,4-tris(propan-2-ylsulfanyl)benzene (CID 12505028) is 1,2,4-tris(propan-2-ylsulfanyl)benzene.
What is the SMILES notation for 1,2,4-tris(propan-2-ylsulfanyl)benzene?
The canonical SMILES for 1,2,4-tris(propan-2-ylsulfanyl)benzene is CC(C)Sc1ccc(SC(C)C)c(SC(C)C)c1.
What is the InChIKey of 1,2,4-tris(propan-2-ylsulfanyl)benzene?
The InChIKey is ROZKARCFTBPYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24S3/c1-10(2)16-13-7-8-14(17-11(3)4)15(9-13)18-12(5)6/h7-12H,1-6H3.
What are the key properties of 1,2,4-tris(propan-2-ylsulfanyl)benzene?
1,2,4-tris(propan-2-ylsulfanyl)benzene has a molecular weight of 300.56 g/mol, XLogP of 6.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-tris(propan-2-ylsulfanyl)benzene is sourced from PubChem (CID 12505028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).