(4-aminophenyl)methanethiol

C7H9NS — CID 19101446

IUPAC(4-aminophenyl)methanethiol
SMILESNc1ccc(CS)cc1
InChIInChI=1S/C7H9NS/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5,8H2
InChIKeyFUEMCRRMXUJLCG-UHFFFAOYSA-N
MW139.22 g/mol
LogP1.70
Rot. Bonds1

About (4-aminophenyl)methanethiol

(4-aminophenyl)methanethiol (PubChem CID 19101446) has the molecular formula C7H9NS and a molecular weight of 139.22 g/mol. Its IUPAC name is (4-aminophenyl)methanethiol.

Molecular Properties

Compound Name(4-aminophenyl)methanethiol
PubChem CID19101446
Molecular FormulaC7H9NS
Molecular Weight139.22 g/mol
Exact Mass139.05
IUPAC Name(4-aminophenyl)methanethiol
SMILESNc1ccc(CS)cc1
InChIInChI=1S/C7H9NS/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5,8H2
InChIKeyFUEMCRRMXUJLCG-UHFFFAOYSA-N
XLogP1.70
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (4-aminophenyl)methanethiol 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 (4-aminophenyl)methanethiol?
The IUPAC name of (4-aminophenyl)methanethiol (CID 19101446) is (4-aminophenyl)methanethiol.
What is the SMILES notation for (4-aminophenyl)methanethiol?
The canonical SMILES for (4-aminophenyl)methanethiol is Nc1ccc(CS)cc1.
What is the InChIKey of (4-aminophenyl)methanethiol?
The InChIKey is FUEMCRRMXUJLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NS/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5,8H2.
What are the key properties of (4-aminophenyl)methanethiol?
(4-aminophenyl)methanethiol has a molecular weight of 139.22 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)methanethiol is sourced from PubChem (CID 19101446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).