1-methoxy-2-methyl-4-methylsulfanylbenzene

C9H12OS — CID 592820

IUPAC1-methoxy-2-methyl-4-methylsulfanylbenzene
SMILESCOc1ccc(SC)cc1C
InChIInChI=1S/C9H12OS/c1-7-6-8(11-3)4-5-9(7)10-2/h4-6H,1-3H3
InChIKeyAIWIJSFUUKMEIC-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.73
Rot. Bonds2

About 1-methoxy-2-methyl-4-methylsulfanylbenzene

1-methoxy-2-methyl-4-methylsulfanylbenzene (PubChem CID 592820) has the molecular formula C9H12OS and a molecular weight of 168.26 g/mol. Its IUPAC name is 1-methoxy-2-methyl-4-methylsulfanylbenzene.

Molecular Properties

Compound Name1-methoxy-2-methyl-4-methylsulfanylbenzene
PubChem CID592820
Molecular FormulaC9H12OS
Molecular Weight168.26 g/mol
Exact Mass168.06
IUPAC Name1-methoxy-2-methyl-4-methylsulfanylbenzene
SMILESCOc1ccc(SC)cc1C
InChIInChI=1S/C9H12OS/c1-7-6-8(11-3)4-5-9(7)10-2/h4-6H,1-3H3
InChIKeyAIWIJSFUUKMEIC-UHFFFAOYSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methyl-4-methylsulfanylbenzene?
The IUPAC name of 1-methoxy-2-methyl-4-methylsulfanylbenzene (CID 592820) is 1-methoxy-2-methyl-4-methylsulfanylbenzene.
What is the SMILES notation for 1-methoxy-2-methyl-4-methylsulfanylbenzene?
The canonical SMILES for 1-methoxy-2-methyl-4-methylsulfanylbenzene is COc1ccc(SC)cc1C.
What is the InChIKey of 1-methoxy-2-methyl-4-methylsulfanylbenzene?
The InChIKey is AIWIJSFUUKMEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12OS/c1-7-6-8(11-3)4-5-9(7)10-2/h4-6H,1-3H3.
What are the key properties of 1-methoxy-2-methyl-4-methylsulfanylbenzene?
1-methoxy-2-methyl-4-methylsulfanylbenzene has a molecular weight of 168.26 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methyl-4-methylsulfanylbenzene is sourced from PubChem (CID 592820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).