2-[2-(sulfanylamino)phenyl]ethanol

C8H11NOS — CID 88722415

IUPAC2-[2-(sulfanylamino)phenyl]ethanol
SMILESOCCc1ccccc1NS
InChIInChI=1S/C8H11NOS/c10-6-5-7-3-1-2-4-8(7)9-11/h1-4,9-11H,5-6H2
InChIKeyNNBRPFCEWAYIKB-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.48
Rot. Bonds3

About 2-[2-(sulfanylamino)phenyl]ethanol

2-[2-(sulfanylamino)phenyl]ethanol (PubChem CID 88722415) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is 2-[2-(sulfanylamino)phenyl]ethanol.

Molecular Properties

Compound Name2-[2-(sulfanylamino)phenyl]ethanol
PubChem CID88722415
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name2-[2-(sulfanylamino)phenyl]ethanol
SMILESOCCc1ccccc1NS
InChIInChI=1S/C8H11NOS/c10-6-5-7-3-1-2-4-8(7)9-11/h1-4,9-11H,5-6H2
InChIKeyNNBRPFCEWAYIKB-UHFFFAOYSA-N
XLogP1.48
TPSA32.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(sulfanylamino)phenyl]ethanol?
The IUPAC name of 2-[2-(sulfanylamino)phenyl]ethanol (CID 88722415) is 2-[2-(sulfanylamino)phenyl]ethanol.
What is the SMILES notation for 2-[2-(sulfanylamino)phenyl]ethanol?
The canonical SMILES for 2-[2-(sulfanylamino)phenyl]ethanol is OCCc1ccccc1NS.
What is the InChIKey of 2-[2-(sulfanylamino)phenyl]ethanol?
The InChIKey is NNBRPFCEWAYIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c10-6-5-7-3-1-2-4-8(7)9-11/h1-4,9-11H,5-6H2.
What are the key properties of 2-[2-(sulfanylamino)phenyl]ethanol?
2-[2-(sulfanylamino)phenyl]ethanol has a molecular weight of 169.25 g/mol, XLogP of 1.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(sulfanylamino)phenyl]ethanol is sourced from PubChem (CID 88722415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).