1,2-dimethoxy-4-methylsulfanylbenzene

C9H12O2S — CID 2758488

IUPAC1,2-dimethoxy-4-methylsulfanylbenzene
SMILESCOc1ccc(SC)cc1OC
InChIInChI=1S/C9H12O2S/c1-10-8-5-4-7(12-3)6-9(8)11-2/h4-6H,1-3H3
InChIKeyMZQNRIUEBXIVOR-UHFFFAOYSA-N
MW184.26 g/mol
LogP2.43
Rot. Bonds3

About 1,2-dimethoxy-4-methylsulfanylbenzene

1,2-dimethoxy-4-methylsulfanylbenzene (PubChem CID 2758488) has the molecular formula C9H12O2S and a molecular weight of 184.26 g/mol. Its IUPAC name is 1,2-dimethoxy-4-methylsulfanylbenzene.

Molecular Properties

Compound Name1,2-dimethoxy-4-methylsulfanylbenzene
PubChem CID2758488
Molecular FormulaC9H12O2S
Molecular Weight184.26 g/mol
Exact Mass184.06
IUPAC Name1,2-dimethoxy-4-methylsulfanylbenzene
SMILESCOc1ccc(SC)cc1OC
InChIInChI=1S/C9H12O2S/c1-10-8-5-4-7(12-3)6-9(8)11-2/h4-6H,1-3H3
InChIKeyMZQNRIUEBXIVOR-UHFFFAOYSA-N
XLogP2.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-4-methylsulfanylbenzene?
The IUPAC name of 1,2-dimethoxy-4-methylsulfanylbenzene (CID 2758488) is 1,2-dimethoxy-4-methylsulfanylbenzene.
What is the SMILES notation for 1,2-dimethoxy-4-methylsulfanylbenzene?
The canonical SMILES for 1,2-dimethoxy-4-methylsulfanylbenzene is COc1ccc(SC)cc1OC.
What is the InChIKey of 1,2-dimethoxy-4-methylsulfanylbenzene?
The InChIKey is MZQNRIUEBXIVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2S/c1-10-8-5-4-7(12-3)6-9(8)11-2/h4-6H,1-3H3.
What are the key properties of 1,2-dimethoxy-4-methylsulfanylbenzene?
1,2-dimethoxy-4-methylsulfanylbenzene has a molecular weight of 184.26 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-4-methylsulfanylbenzene is sourced from PubChem (CID 2758488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).