1,3,5-trimethyl-2-methylsulfanylbenzene

C10H14S — CID 11084258

IUPAC1,3,5-trimethyl-2-methylsulfanylbenzene
SMILESCSc1c(C)cc(C)cc1C
InChIInChI=1S/C10H14S/c1-7-5-8(2)10(11-4)9(3)6-7/h5-6H,1-4H3
InChIKeyXTEITIDZEYVPBZ-UHFFFAOYSA-N
MW166.29 g/mol
LogP3.33
Rot. Bonds1

About 1,3,5-trimethyl-2-methylsulfanylbenzene

1,3,5-trimethyl-2-methylsulfanylbenzene (PubChem CID 11084258) has the molecular formula C10H14S and a molecular weight of 166.29 g/mol. Its IUPAC name is 1,3,5-trimethyl-2-methylsulfanylbenzene.

Molecular Properties

Compound Name1,3,5-trimethyl-2-methylsulfanylbenzene
PubChem CID11084258
Molecular FormulaC10H14S
Molecular Weight166.29 g/mol
Exact Mass166.08
IUPAC Name1,3,5-trimethyl-2-methylsulfanylbenzene
SMILESCSc1c(C)cc(C)cc1C
InChIInChI=1S/C10H14S/c1-7-5-8(2)10(11-4)9(3)6-7/h5-6H,1-4H3
InChIKeyXTEITIDZEYVPBZ-UHFFFAOYSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.29
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-2-methylsulfanylbenzene?
The IUPAC name of 1,3,5-trimethyl-2-methylsulfanylbenzene (CID 11084258) is 1,3,5-trimethyl-2-methylsulfanylbenzene.
What is the SMILES notation for 1,3,5-trimethyl-2-methylsulfanylbenzene?
The canonical SMILES for 1,3,5-trimethyl-2-methylsulfanylbenzene is CSc1c(C)cc(C)cc1C.
What is the InChIKey of 1,3,5-trimethyl-2-methylsulfanylbenzene?
The InChIKey is XTEITIDZEYVPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14S/c1-7-5-8(2)10(11-4)9(3)6-7/h5-6H,1-4H3.
What are the key properties of 1,3,5-trimethyl-2-methylsulfanylbenzene?
1,3,5-trimethyl-2-methylsulfanylbenzene has a molecular weight of 166.29 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-2-methylsulfanylbenzene is sourced from PubChem (CID 11084258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).