2-(2-aminophenyl)-5-methylbenzenethiol

C13H13NS — CID 174659757

IUPAC2-(2-aminophenyl)-5-methylbenzenethiol
SMILESCc1ccc(-c2ccccc2N)c(S)c1
InChIInChI=1S/C13H13NS/c1-9-6-7-11(13(15)8-9)10-4-2-3-5-12(10)14/h2-8,15H,14H2,1H3
InChIKeyZSVOPISNKIKJPF-UHFFFAOYSA-N
MW215.32 g/mol
LogP3.53
Rot. Bonds1

About 2-(2-aminophenyl)-5-methylbenzenethiol

2-(2-aminophenyl)-5-methylbenzenethiol (PubChem CID 174659757) has the molecular formula C13H13NS and a molecular weight of 215.32 g/mol. Its IUPAC name is 2-(2-aminophenyl)-5-methylbenzenethiol.

Molecular Properties

Compound Name2-(2-aminophenyl)-5-methylbenzenethiol
PubChem CID174659757
Molecular FormulaC13H13NS
Molecular Weight215.32 g/mol
Exact Mass215.08
IUPAC Name2-(2-aminophenyl)-5-methylbenzenethiol
SMILESCc1ccc(-c2ccccc2N)c(S)c1
InChIInChI=1S/C13H13NS/c1-9-6-7-11(13(15)8-9)10-4-2-3-5-12(10)14/h2-8,15H,14H2,1H3
InChIKeyZSVOPISNKIKJPF-UHFFFAOYSA-N
XLogP3.53
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-(2-aminophenyl)-5-methylbenzenethiol 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 2-(2-aminophenyl)-5-methylbenzenethiol?
The IUPAC name of 2-(2-aminophenyl)-5-methylbenzenethiol (CID 174659757) is 2-(2-aminophenyl)-5-methylbenzenethiol.
What is the SMILES notation for 2-(2-aminophenyl)-5-methylbenzenethiol?
The canonical SMILES for 2-(2-aminophenyl)-5-methylbenzenethiol is Cc1ccc(-c2ccccc2N)c(S)c1.
What is the InChIKey of 2-(2-aminophenyl)-5-methylbenzenethiol?
The InChIKey is ZSVOPISNKIKJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NS/c1-9-6-7-11(13(15)8-9)10-4-2-3-5-12(10)14/h2-8,15H,14H2,1H3.
What are the key properties of 2-(2-aminophenyl)-5-methylbenzenethiol?
2-(2-aminophenyl)-5-methylbenzenethiol has a molecular weight of 215.32 g/mol, XLogP of 3.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-5-methylbenzenethiol is sourced from PubChem (CID 174659757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).