N-hydroxy-2-phenylethanethioamide

C8H9NOS — CID 3295299

IUPACN-hydroxy-2-phenylethanethioamide
SMILESONC(=S)Cc1ccccc1
InChIInChI=1S/C8H9NOS/c10-9-8(11)6-7-4-2-1-3-5-7/h1-5,10H,6H2,(H,9,11)
InChIKeyIHTJGIKQNHDTSX-UHFFFAOYSA-N
MW167.23 g/mol
LogP1.54
Rot. Bonds2

About N-hydroxy-2-phenylethanethioamide

N-hydroxy-2-phenylethanethioamide (PubChem CID 3295299) has the molecular formula C8H9NOS and a molecular weight of 167.23 g/mol. Its IUPAC name is N-hydroxy-2-phenylethanethioamide.

Molecular Properties

Compound NameN-hydroxy-2-phenylethanethioamide
PubChem CID3295299
Molecular FormulaC8H9NOS
Molecular Weight167.23 g/mol
Exact Mass167.04
IUPAC NameN-hydroxy-2-phenylethanethioamide
SMILESONC(=S)Cc1ccccc1
InChIInChI=1S/C8H9NOS/c10-9-8(11)6-7-4-2-1-3-5-7/h1-5,10H,6H2,(H,9,11)
InChIKeyIHTJGIKQNHDTSX-UHFFFAOYSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-hydroxy-2-phenylethanethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Phenylethanethioamide
CID 731368
1-Hydroxylamino-2-phenylethane
CID 165091
(E)-3-phenylprop-2-enethioamide
CID 10866659
Acetamide, 2,2-diphenylthio-
CID 2734828
2-(4-Methylphenyl)ethanethioamide
CID 2806791
3-Phenylpropanethioamide
CID 5150735
Phenylthioacetohydroximate
CID 25202663
N-Hydroxy-alpha-methylbenzeneethanamine
CID 65546
2-(4-Fluorophenyl)ethanethioamide
CID 18938126
2-(3-Fluorophenyl)ethanethioamide
CID 20117076
2-(2-Methylphenyl)ethanethioamide
CID 20118472
2-(2-Fluorophenyl)ethanethioamide
CID 20121176

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-phenylethanethioamide?
The IUPAC name of N-hydroxy-2-phenylethanethioamide (CID 3295299) is N-hydroxy-2-phenylethanethioamide.
What is the SMILES notation for N-hydroxy-2-phenylethanethioamide?
The canonical SMILES for N-hydroxy-2-phenylethanethioamide is ONC(=S)Cc1ccccc1.
What is the InChIKey of N-hydroxy-2-phenylethanethioamide?
The InChIKey is IHTJGIKQNHDTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS/c10-9-8(11)6-7-4-2-1-3-5-7/h1-5,10H,6H2,(H,9,11).
What are the key properties of N-hydroxy-2-phenylethanethioamide?
N-hydroxy-2-phenylethanethioamide has a molecular weight of 167.23 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-phenylethanethioamide is sourced from PubChem (CID 3295299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).