5-amino-2-(2-hydroxyethylsulfanyl)phenol

C8H11NO2S — CID 18997704

IUPAC5-amino-2-(2-hydroxyethylsulfanyl)phenol
SMILESNc1ccc(SCCO)c(O)c1
InChIInChI=1S/C8H11NO2S/c9-6-1-2-8(7(11)5-6)12-4-3-10/h1-2,5,10-11H,3-4,9H2
InChIKeyMSJBVCHSHKXDBK-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.06
Rot. Bonds3

About 5-amino-2-(2-hydroxyethylsulfanyl)phenol

5-amino-2-(2-hydroxyethylsulfanyl)phenol (PubChem CID 18997704) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 5-amino-2-(2-hydroxyethylsulfanyl)phenol.

Molecular Properties

Compound Name5-amino-2-(2-hydroxyethylsulfanyl)phenol
PubChem CID18997704
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name5-amino-2-(2-hydroxyethylsulfanyl)phenol
SMILESNc1ccc(SCCO)c(O)c1
InChIInChI=1S/C8H11NO2S/c9-6-1-2-8(7(11)5-6)12-4-3-10/h1-2,5,10-11H,3-4,9H2
InChIKeyMSJBVCHSHKXDBK-UHFFFAOYSA-N
XLogP1.06
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-hydroxyethylsulfanyl)phenol?
The IUPAC name of 5-amino-2-(2-hydroxyethylsulfanyl)phenol (CID 18997704) is 5-amino-2-(2-hydroxyethylsulfanyl)phenol.
What is the SMILES notation for 5-amino-2-(2-hydroxyethylsulfanyl)phenol?
The canonical SMILES for 5-amino-2-(2-hydroxyethylsulfanyl)phenol is Nc1ccc(SCCO)c(O)c1.
What is the InChIKey of 5-amino-2-(2-hydroxyethylsulfanyl)phenol?
The InChIKey is MSJBVCHSHKXDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c9-6-1-2-8(7(11)5-6)12-4-3-10/h1-2,5,10-11H,3-4,9H2.
What are the key properties of 5-amino-2-(2-hydroxyethylsulfanyl)phenol?
5-amino-2-(2-hydroxyethylsulfanyl)phenol has a molecular weight of 185.25 g/mol, XLogP of 1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-hydroxyethylsulfanyl)phenol is sourced from PubChem (CID 18997704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).