1-[2-hydroxy-5-(methylaminosulfanyl)phenyl]ethanone

C9H11NO2S — CID 142380240

IUPAC1-[2-hydroxy-5-(methylaminosulfanyl)phenyl]ethanone
SMILESCNSc1ccc(O)c(C(C)=O)c1
InChIInChI=1S/C9H11NO2S/c1-6(11)8-5-7(13-10-2)3-4-9(8)12/h3-5,10,12H,1-2H3
InChIKeyJRVWSIMFAFOYLP-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.82
Rot. Bonds3

About 1-[2-hydroxy-5-(methylaminosulfanyl)phenyl]ethanone

1-[2-hydroxy-5-(methylaminosulfanyl)phenyl]ethanone (PubChem CID 142380240) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 1-[2-hydroxy-5-(methylaminosulfanyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-hydroxy-5-(methylaminosulfanyl)phenyl]ethanone
PubChem CID142380240
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name1-[2-hydroxy-5-(methylaminosulfanyl)phenyl]ethanone
SMILESCNSc1ccc(O)c(C(C)=O)c1
InChIInChI=1S/C9H11NO2S/c1-6(11)8-5-7(13-10-2)3-4-9(8)12/h3-5,10,12H,1-2H3
InChIKeyJRVWSIMFAFOYLP-UHFFFAOYSA-N
XLogP1.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-hydroxy-5-(methylaminosulfanyl)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-5-(methylaminosulfanyl)phenyl]ethanone?
The IUPAC name of 1-[2-hydroxy-5-(methylaminosulfanyl)phenyl]ethanone (CID 142380240) is 1-[2-hydroxy-5-(methylaminosulfanyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-hydroxy-5-(methylaminosulfanyl)phenyl]ethanone?
The canonical SMILES for 1-[2-hydroxy-5-(methylaminosulfanyl)phenyl]ethanone is CNSc1ccc(O)c(C(C)=O)c1.
What is the InChIKey of 1-[2-hydroxy-5-(methylaminosulfanyl)phenyl]ethanone?
The InChIKey is JRVWSIMFAFOYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-6(11)8-5-7(13-10-2)3-4-9(8)12/h3-5,10,12H,1-2H3.
What are the key properties of 1-[2-hydroxy-5-(methylaminosulfanyl)phenyl]ethanone?
1-[2-hydroxy-5-(methylaminosulfanyl)phenyl]ethanone has a molecular weight of 197.26 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-5-(methylaminosulfanyl)phenyl]ethanone is sourced from PubChem (CID 142380240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).