2-amino-3-sulfanylphenol

C6H7NOS — CID 22024181

IUPAC2-amino-3-sulfanylphenol
SMILESNc1c(O)cccc1S
InChIInChI=1S/C6H7NOS/c7-6-4(8)2-1-3-5(6)9/h1-3,8-9H,7H2
InChIKeyFPFQSTOZKORBST-UHFFFAOYSA-N
MW141.19 g/mol
LogP1.26
Rot. Bonds

About 2-amino-3-sulfanylphenol

2-amino-3-sulfanylphenol (PubChem CID 22024181) has the molecular formula C6H7NOS and a molecular weight of 141.19 g/mol. Its IUPAC name is 2-amino-3-sulfanylphenol.

Molecular Properties

Compound Name2-amino-3-sulfanylphenol
PubChem CID22024181
Molecular FormulaC6H7NOS
Molecular Weight141.19 g/mol
Exact Mass141.02
IUPAC Name2-amino-3-sulfanylphenol
SMILESNc1c(O)cccc1S
InChIInChI=1S/C6H7NOS/c7-6-4(8)2-1-3-5(6)9/h1-3,8-9H,7H2
InChIKeyFPFQSTOZKORBST-UHFFFAOYSA-N
XLogP1.26
TPSA46.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-3-sulfanylphenol 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-amino-3-sulfanylphenol?
The IUPAC name of 2-amino-3-sulfanylphenol (CID 22024181) is 2-amino-3-sulfanylphenol.
What is the SMILES notation for 2-amino-3-sulfanylphenol?
The canonical SMILES for 2-amino-3-sulfanylphenol is Nc1c(O)cccc1S.
What is the InChIKey of 2-amino-3-sulfanylphenol?
The InChIKey is FPFQSTOZKORBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NOS/c7-6-4(8)2-1-3-5(6)9/h1-3,8-9H,7H2.
What are the key properties of 2-amino-3-sulfanylphenol?
2-amino-3-sulfanylphenol has a molecular weight of 141.19 g/mol, XLogP of 1.26, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-sulfanylphenol is sourced from PubChem (CID 22024181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).