4-methoxy-2-methylsulfanylaniline

C8H11NOS — CID 11147966

IUPAC4-methoxy-2-methylsulfanylaniline
SMILESCOc1ccc(N)c(SC)c1
InChIInChI=1S/C8H11NOS/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5H,9H2,1-2H3
InChIKeyODBUJNARRXURRA-UHFFFAOYSA-N
MW169.25 g/mol
LogP2.00
Rot. Bonds2

About 4-methoxy-2-methylsulfanylaniline

4-methoxy-2-methylsulfanylaniline (PubChem CID 11147966) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is 4-methoxy-2-methylsulfanylaniline.

Molecular Properties

Compound Name4-methoxy-2-methylsulfanylaniline
PubChem CID11147966
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name4-methoxy-2-methylsulfanylaniline
SMILESCOc1ccc(N)c(SC)c1
InChIInChI=1S/C8H11NOS/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5H,9H2,1-2H3
InChIKeyODBUJNARRXURRA-UHFFFAOYSA-N
XLogP2.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methylsulfanylaniline?
The IUPAC name of 4-methoxy-2-methylsulfanylaniline (CID 11147966) is 4-methoxy-2-methylsulfanylaniline.
What is the SMILES notation for 4-methoxy-2-methylsulfanylaniline?
The canonical SMILES for 4-methoxy-2-methylsulfanylaniline is COc1ccc(N)c(SC)c1.
What is the InChIKey of 4-methoxy-2-methylsulfanylaniline?
The InChIKey is ODBUJNARRXURRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5H,9H2,1-2H3.
What are the key properties of 4-methoxy-2-methylsulfanylaniline?
4-methoxy-2-methylsulfanylaniline has a molecular weight of 169.25 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methylsulfanylaniline is sourced from PubChem (CID 11147966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).