4-methoxy-2-(2-methylfuran-3-yl)sulfanylaniline

C12H13NO2S — CID 107779499

IUPAC4-methoxy-2-(2-methylfuran-3-yl)sulfanylaniline
SMILESCOc1ccc(N)c(Sc2ccoc2C)c1
InChIInChI=1S/C12H13NO2S/c1-8-11(5-6-15-8)16-12-7-9(14-2)3-4-10(12)13/h3-7H,13H2,1-2H3
InChIKeyUIBYDDJOYUYVRR-UHFFFAOYSA-N
MW235.31 g/mol
LogP3.33
Rot. Bonds3

About 4-methoxy-2-(2-methylfuran-3-yl)sulfanylaniline

4-methoxy-2-(2-methylfuran-3-yl)sulfanylaniline (PubChem CID 107779499) has the molecular formula C12H13NO2S and a molecular weight of 235.31 g/mol. Its IUPAC name is 4-methoxy-2-(2-methylfuran-3-yl)sulfanylaniline.

Molecular Properties

Compound Name4-methoxy-2-(2-methylfuran-3-yl)sulfanylaniline
PubChem CID107779499
Molecular FormulaC12H13NO2S
Molecular Weight235.31 g/mol
Exact Mass235.07
IUPAC Name4-methoxy-2-(2-methylfuran-3-yl)sulfanylaniline
SMILESCOc1ccc(N)c(Sc2ccoc2C)c1
InChIInChI=1S/C12H13NO2S/c1-8-11(5-6-15-8)16-12-7-9(14-2)3-4-10(12)13/h3-7H,13H2,1-2H3
InChIKeyUIBYDDJOYUYVRR-UHFFFAOYSA-N
XLogP3.33
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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2-methyl-4-(2-methylfuran-3-yl)sulfanylaniline
CID 107779582
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-4-methoxyaniline
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2-(2-amino-5-methoxyphenyl)sulfanylpropanenitrile
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2-(2-fluoroethylsulfanyl)-4-methoxyaniline
CID 80693918
4-methoxy-6-(2-methylfuran-3-yl)sulfanylpyrimidin-5-amine
CID 107779481
1-amino-4-methoxy-2-sulfosulfanylbenzene
CID 130155226
4-methoxy-2-(oxan-4-ylsulfanyl)aniline
CID 79518481
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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(2-methylfuran-3-yl)sulfanylaniline?
The IUPAC name of 4-methoxy-2-(2-methylfuran-3-yl)sulfanylaniline (CID 107779499) is 4-methoxy-2-(2-methylfuran-3-yl)sulfanylaniline.
What is the SMILES notation for 4-methoxy-2-(2-methylfuran-3-yl)sulfanylaniline?
The canonical SMILES for 4-methoxy-2-(2-methylfuran-3-yl)sulfanylaniline is COc1ccc(N)c(Sc2ccoc2C)c1.
What is the InChIKey of 4-methoxy-2-(2-methylfuran-3-yl)sulfanylaniline?
The InChIKey is UIBYDDJOYUYVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S/c1-8-11(5-6-15-8)16-12-7-9(14-2)3-4-10(12)13/h3-7H,13H2,1-2H3.
What are the key properties of 4-methoxy-2-(2-methylfuran-3-yl)sulfanylaniline?
4-methoxy-2-(2-methylfuran-3-yl)sulfanylaniline has a molecular weight of 235.31 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(2-methylfuran-3-yl)sulfanylaniline is sourced from PubChem (CID 107779499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).