2-[(E)-3-aminoprop-1-enyl]-6-methyl-3-methylsulfanylphenol

C11H15NOS — CID 117299504

IUPAC2-[(E)-3-aminoprop-1-enyl]-6-methyl-3-methylsulfanylphenol
SMILESCSc1ccc(C)c(O)c1/C=C/CN
InChIInChI=1S/C11H15NOS/c1-8-5-6-10(14-2)9(11(8)13)4-3-7-12/h3-6,13H,7,12H2,1-2H3/b4-3+
InChIKeyACUPSOPMRCDHOZ-ONEGZZNKSA-N
MW209.31 g/mol
LogP2.39
Rot. Bonds3

About 2-[(E)-3-aminoprop-1-enyl]-6-methyl-3-methylsulfanylphenol

2-[(E)-3-aminoprop-1-enyl]-6-methyl-3-methylsulfanylphenol (PubChem CID 117299504) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 2-[(E)-3-aminoprop-1-enyl]-6-methyl-3-methylsulfanylphenol.

Molecular Properties

Compound Name2-[(E)-3-aminoprop-1-enyl]-6-methyl-3-methylsulfanylphenol
PubChem CID117299504
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name2-[(E)-3-aminoprop-1-enyl]-6-methyl-3-methylsulfanylphenol
SMILESCSc1ccc(C)c(O)c1/C=C/CN
InChIInChI=1S/C11H15NOS/c1-8-5-6-10(14-2)9(11(8)13)4-3-7-12/h3-6,13H,7,12H2,1-2H3/b4-3+
InChIKeyACUPSOPMRCDHOZ-ONEGZZNKSA-N
XLogP2.39
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-aminoprop-1-enyl]-6-methyl-3-methylsulfanylphenol?
The IUPAC name of 2-[(E)-3-aminoprop-1-enyl]-6-methyl-3-methylsulfanylphenol (CID 117299504) is 2-[(E)-3-aminoprop-1-enyl]-6-methyl-3-methylsulfanylphenol.
What is the SMILES notation for 2-[(E)-3-aminoprop-1-enyl]-6-methyl-3-methylsulfanylphenol?
The canonical SMILES for 2-[(E)-3-aminoprop-1-enyl]-6-methyl-3-methylsulfanylphenol is CSc1ccc(C)c(O)c1/C=C/CN.
What is the InChIKey of 2-[(E)-3-aminoprop-1-enyl]-6-methyl-3-methylsulfanylphenol?
The InChIKey is ACUPSOPMRCDHOZ-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H15NOS/c1-8-5-6-10(14-2)9(11(8)13)4-3-7-12/h3-6,13H,7,12H2,1-2H3/b4-3+.
What are the key properties of 2-[(E)-3-aminoprop-1-enyl]-6-methyl-3-methylsulfanylphenol?
2-[(E)-3-aminoprop-1-enyl]-6-methyl-3-methylsulfanylphenol has a molecular weight of 209.31 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-aminoprop-1-enyl]-6-methyl-3-methylsulfanylphenol is sourced from PubChem (CID 117299504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).