4-(2-amino-3-sulfanylpropyl)phenol

C9H13NOS — CID 15159717

IUPAC4-(2-amino-3-sulfanylpropyl)phenol
SMILESNC(CS)Cc1ccc(O)cc1
InChIInChI=1S/C9H13NOS/c10-8(6-12)5-7-1-3-9(11)4-2-7/h1-4,8,11-12H,5-6,10H2
InChIKeyGWUVRRHWGBTQHY-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.19
Rot. Bonds3

About 4-(2-amino-3-sulfanylpropyl)phenol

4-(2-amino-3-sulfanylpropyl)phenol (PubChem CID 15159717) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 4-(2-amino-3-sulfanylpropyl)phenol.

Molecular Properties

Compound Name4-(2-amino-3-sulfanylpropyl)phenol
PubChem CID15159717
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name4-(2-amino-3-sulfanylpropyl)phenol
SMILESNC(CS)Cc1ccc(O)cc1
InChIInChI=1S/C9H13NOS/c10-8(6-12)5-7-1-3-9(11)4-2-7/h1-4,8,11-12H,5-6,10H2
InChIKeyGWUVRRHWGBTQHY-UHFFFAOYSA-N
XLogP1.19
TPSA46.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2-amino-3-sulfanylpropyl)phenol 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-(2-amino-3-sulfanylpropyl)phenol?
The IUPAC name of 4-(2-amino-3-sulfanylpropyl)phenol (CID 15159717) is 4-(2-amino-3-sulfanylpropyl)phenol.
What is the SMILES notation for 4-(2-amino-3-sulfanylpropyl)phenol?
The canonical SMILES for 4-(2-amino-3-sulfanylpropyl)phenol is NC(CS)Cc1ccc(O)cc1.
What is the InChIKey of 4-(2-amino-3-sulfanylpropyl)phenol?
The InChIKey is GWUVRRHWGBTQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c10-8(6-12)5-7-1-3-9(11)4-2-7/h1-4,8,11-12H,5-6,10H2.
What are the key properties of 4-(2-amino-3-sulfanylpropyl)phenol?
4-(2-amino-3-sulfanylpropyl)phenol has a molecular weight of 183.28 g/mol, XLogP of 1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-sulfanylpropyl)phenol is sourced from PubChem (CID 15159717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).