1-tert-butylsulfanyl-2,4-dimethylbenzene

C12H18S — CID 118587974

IUPAC1-tert-butylsulfanyl-2,4-dimethylbenzene
SMILESCc1ccc(SC(C)(C)C)c(C)c1
InChIInChI=1S/C12H18S/c1-9-6-7-11(10(2)8-9)13-12(3,4)5/h6-8H,1-5H3
InChIKeyGFBINOKLFHLROE-UHFFFAOYSA-N
MW194.34 g/mol
LogP4.19
Rot. Bonds1

About 1-tert-butylsulfanyl-2,4-dimethylbenzene

1-tert-butylsulfanyl-2,4-dimethylbenzene (PubChem CID 118587974) has the molecular formula C12H18S and a molecular weight of 194.34 g/mol. Its IUPAC name is 1-tert-butylsulfanyl-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-tert-butylsulfanyl-2,4-dimethylbenzene
PubChem CID118587974
Molecular FormulaC12H18S
Molecular Weight194.34 g/mol
Exact Mass194.11
IUPAC Name1-tert-butylsulfanyl-2,4-dimethylbenzene
SMILESCc1ccc(SC(C)(C)C)c(C)c1
InChIInChI=1S/C12H18S/c1-9-6-7-11(10(2)8-9)13-12(3,4)5/h6-8H,1-5H3
InChIKeyGFBINOKLFHLROE-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.34
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfanyl-2,4-dimethylbenzene?
The IUPAC name of 1-tert-butylsulfanyl-2,4-dimethylbenzene (CID 118587974) is 1-tert-butylsulfanyl-2,4-dimethylbenzene.
What is the SMILES notation for 1-tert-butylsulfanyl-2,4-dimethylbenzene?
The canonical SMILES for 1-tert-butylsulfanyl-2,4-dimethylbenzene is Cc1ccc(SC(C)(C)C)c(C)c1.
What is the InChIKey of 1-tert-butylsulfanyl-2,4-dimethylbenzene?
The InChIKey is GFBINOKLFHLROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18S/c1-9-6-7-11(10(2)8-9)13-12(3,4)5/h6-8H,1-5H3.
What are the key properties of 1-tert-butylsulfanyl-2,4-dimethylbenzene?
1-tert-butylsulfanyl-2,4-dimethylbenzene has a molecular weight of 194.34 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfanyl-2,4-dimethylbenzene is sourced from PubChem (CID 118587974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).