1,3,5-trimethyl-2-[(R)-methylsulfinyl]benzene

C10H14OS — CID 14433886

IUPAC1,3,5-trimethyl-2-[(R)-methylsulfinyl]benzene
SMILESCc1cc(C)c([S@@](C)=O)c(C)c1
InChIInChI=1S/C10H14OS/c1-7-5-8(2)10(12(4)11)9(3)6-7/h5-6H,1-4H3/t12-/m1/s1
InChIKeyGWPSJKQQNNVDAC-GFCCVEGCSA-N
MW182.29 g/mol
LogP2.35
Rot. Bonds1

About 1,3,5-trimethyl-2-[(R)-methylsulfinyl]benzene

1,3,5-trimethyl-2-[(R)-methylsulfinyl]benzene (PubChem CID 14433886) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is 1,3,5-trimethyl-2-[(R)-methylsulfinyl]benzene.

Molecular Properties

Compound Name1,3,5-trimethyl-2-[(R)-methylsulfinyl]benzene
PubChem CID14433886
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name1,3,5-trimethyl-2-[(R)-methylsulfinyl]benzene
SMILESCc1cc(C)c([S@@](C)=O)c(C)c1
InChIInChI=1S/C10H14OS/c1-7-5-8(2)10(12(4)11)9(3)6-7/h5-6H,1-4H3/t12-/m1/s1
InChIKeyGWPSJKQQNNVDAC-GFCCVEGCSA-N
XLogP2.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.35
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-[(R)-methylsulfinyl]benzene?
The IUPAC name of 1,3,5-trimethyl-2-[(R)-methylsulfinyl]benzene (CID 14433886) is 1,3,5-trimethyl-2-[(R)-methylsulfinyl]benzene.
What is the SMILES notation for 1,3,5-trimethyl-2-[(R)-methylsulfinyl]benzene?
The canonical SMILES for 1,3,5-trimethyl-2-[(R)-methylsulfinyl]benzene is Cc1cc(C)c([S@@](C)=O)c(C)c1.
What is the InChIKey of 1,3,5-trimethyl-2-[(R)-methylsulfinyl]benzene?
The InChIKey is GWPSJKQQNNVDAC-GFCCVEGCSA-N. The full InChI is InChI=1S/C10H14OS/c1-7-5-8(2)10(12(4)11)9(3)6-7/h5-6H,1-4H3/t12-/m1/s1.
What are the key properties of 1,3,5-trimethyl-2-[(R)-methylsulfinyl]benzene?
1,3,5-trimethyl-2-[(R)-methylsulfinyl]benzene has a molecular weight of 182.29 g/mol, XLogP of 2.35, 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-[(R)-methylsulfinyl]benzene is sourced from PubChem (CID 14433886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).