4-methoxy-2-methyl-1-methylsulfanylbenzene

C9H12OS — CID 597806

IUPAC4-methoxy-2-methyl-1-methylsulfanylbenzene
SMILESCOc1ccc(SC)c(C)c1
InChIInChI=1S/C9H12OS/c1-7-6-8(10-2)4-5-9(7)11-3/h4-6H,1-3H3
InChIKeyFPJQQPOPOJLVNT-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.73
Rot. Bonds2

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

4-methoxy-2-methyl-1-methylsulfanylbenzene (PubChem CID 597806) has the molecular formula C9H12OS and a molecular weight of 168.26 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1-methylsulfanylbenzene.

Molecular Properties

Compound Name4-methoxy-2-methyl-1-methylsulfanylbenzene
PubChem CID597806
Molecular FormulaC9H12OS
Molecular Weight168.26 g/mol
Exact Mass168.06
IUPAC Name4-methoxy-2-methyl-1-methylsulfanylbenzene
SMILESCOc1ccc(SC)c(C)c1
InChIInChI=1S/C9H12OS/c1-7-6-8(10-2)4-5-9(7)11-3/h4-6H,1-3H3
InChIKeyFPJQQPOPOJLVNT-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 4-methoxy-2-methyl-1-methylsulfanylbenzene?
The IUPAC name of 4-methoxy-2-methyl-1-methylsulfanylbenzene (CID 597806) is 4-methoxy-2-methyl-1-methylsulfanylbenzene.
What is the SMILES notation for 4-methoxy-2-methyl-1-methylsulfanylbenzene?
The canonical SMILES for 4-methoxy-2-methyl-1-methylsulfanylbenzene is COc1ccc(SC)c(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-1-methylsulfanylbenzene?
The InChIKey is FPJQQPOPOJLVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12OS/c1-7-6-8(10-2)4-5-9(7)11-3/h4-6H,1-3H3.
What are the key properties of 4-methoxy-2-methyl-1-methylsulfanylbenzene?
4-methoxy-2-methyl-1-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 4-methoxy-2-methyl-1-methylsulfanylbenzene is sourced from PubChem (CID 597806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).