2-amino-5-(thiiran-2-yl)phenol

C8H9NOS — CID 143004081

IUPAC2-amino-5-(thiiran-2-yl)phenol
SMILESNc1ccc(C2CS2)cc1O
InChIInChI=1S/C8H9NOS/c9-6-2-1-5(3-7(6)10)8-4-11-8/h1-3,8,10H,4,9H2
InChIKeyLLSIZMJSTZBOCE-UHFFFAOYSA-N
MW167.23 g/mol
LogP1.76
Rot. Bonds1

About 2-amino-5-(thiiran-2-yl)phenol

2-amino-5-(thiiran-2-yl)phenol (PubChem CID 143004081) has the molecular formula C8H9NOS and a molecular weight of 167.23 g/mol. Its IUPAC name is 2-amino-5-(thiiran-2-yl)phenol.

Molecular Properties

Compound Name2-amino-5-(thiiran-2-yl)phenol
PubChem CID143004081
Molecular FormulaC8H9NOS
Molecular Weight167.23 g/mol
Exact Mass167.04
IUPAC Name2-amino-5-(thiiran-2-yl)phenol
SMILESNc1ccc(C2CS2)cc1O
InChIInChI=1S/C8H9NOS/c9-6-2-1-5(3-7(6)10)8-4-11-8/h1-3,8,10H,4,9H2
InChIKeyLLSIZMJSTZBOCE-UHFFFAOYSA-N
XLogP1.76
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(thiiran-2-yl)phenol?
The IUPAC name of 2-amino-5-(thiiran-2-yl)phenol (CID 143004081) is 2-amino-5-(thiiran-2-yl)phenol.
What is the SMILES notation for 2-amino-5-(thiiran-2-yl)phenol?
The canonical SMILES for 2-amino-5-(thiiran-2-yl)phenol is Nc1ccc(C2CS2)cc1O.
What is the InChIKey of 2-amino-5-(thiiran-2-yl)phenol?
The InChIKey is LLSIZMJSTZBOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS/c9-6-2-1-5(3-7(6)10)8-4-11-8/h1-3,8,10H,4,9H2.
What are the key properties of 2-amino-5-(thiiran-2-yl)phenol?
2-amino-5-(thiiran-2-yl)phenol has a molecular weight of 167.23 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(thiiran-2-yl)phenol is sourced from PubChem (CID 143004081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).