2-amino-1-(4-methylsulfanylphenyl)ethanone

C9H11NOS — CID 14587059

IUPAC2-amino-1-(4-methylsulfanylphenyl)ethanone
SMILESCSc1ccc(C(=O)CN)cc1
InChIInChI=1S/C9H11NOS/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5H,6,10H2,1H3
InChIKeyRGAZZOQHPMTLOF-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.55
Rot. Bonds3

About 2-amino-1-(4-methylsulfanylphenyl)ethanone

2-amino-1-(4-methylsulfanylphenyl)ethanone (PubChem CID 14587059) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is 2-amino-1-(4-methylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(4-methylsulfanylphenyl)ethanone
PubChem CID14587059
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name2-amino-1-(4-methylsulfanylphenyl)ethanone
SMILESCSc1ccc(C(=O)CN)cc1
InChIInChI=1S/C9H11NOS/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5H,6,10H2,1H3
InChIKeyRGAZZOQHPMTLOF-UHFFFAOYSA-N
XLogP1.55
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-methylsulfanylphenyl)ethanone?
The IUPAC name of 2-amino-1-(4-methylsulfanylphenyl)ethanone (CID 14587059) is 2-amino-1-(4-methylsulfanylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(4-methylsulfanylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(4-methylsulfanylphenyl)ethanone is CSc1ccc(C(=O)CN)cc1.
What is the InChIKey of 2-amino-1-(4-methylsulfanylphenyl)ethanone?
The InChIKey is RGAZZOQHPMTLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5H,6,10H2,1H3.
What are the key properties of 2-amino-1-(4-methylsulfanylphenyl)ethanone?
2-amino-1-(4-methylsulfanylphenyl)ethanone has a molecular weight of 181.26 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-methylsulfanylphenyl)ethanone is sourced from PubChem (CID 14587059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).