3-(4-hydroxyphenyl)prop-2-enethioamide

C9H9NOS — CID 136649174

IUPAC3-(4-hydroxyphenyl)prop-2-enethioamide
SMILESNC(=S)C=Cc1ccc(O)cc1
InChIInChI=1S/C9H9NOS/c10-9(12)6-3-7-1-4-8(11)5-2-7/h1-6,11H,(H2,10,12)
InChIKeyPQFKSRJQZUSSAF-UHFFFAOYSA-N
MW179.24 g/mol
LogP1.69
Rot. Bonds2

About 3-(4-hydroxyphenyl)prop-2-enethioamide

3-(4-hydroxyphenyl)prop-2-enethioamide (PubChem CID 136649174) has the molecular formula C9H9NOS and a molecular weight of 179.24 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)prop-2-enethioamide.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)prop-2-enethioamide
PubChem CID136649174
Molecular FormulaC9H9NOS
Molecular Weight179.24 g/mol
Exact Mass179.04
IUPAC Name3-(4-hydroxyphenyl)prop-2-enethioamide
SMILESNC(=S)C=Cc1ccc(O)cc1
InChIInChI=1S/C9H9NOS/c10-9(12)6-3-7-1-4-8(11)5-2-7/h1-6,11H,(H2,10,12)
InChIKeyPQFKSRJQZUSSAF-UHFFFAOYSA-N
XLogP1.69
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3-(4-hydroxyphenyl)prop-2-enethioamide 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

3-[4-(dimethylamino)phenyl]prop-2-enethioamide
CID 71356638
(E)-3-(3-hydroxyphenyl)prop-2-enethioamide
CID 82668662
(E)-3-(4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)(1,2,3-13C3)prop-2-enoic acid
CID 175665468
4-[(Z)-2-(4-aminophenyl)ethenyl]phenol
CID 25021233
tris(3-(4-hydroxyphenyl)prop-2-enoic acid);lanthanum
CID 153328544
4-(4-hydroxyphenyl)but-3-en-2-one
CID 159706417
4-[(1Z,3E)-3-hydroxypenta-1,3-dienyl]phenol
CID 144837467
4-[6-(4-hydroxyphenyl)hexa-1,3,5-trienyl]phenol
CID 73020850
hydroxymethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 134285367
3-[4-(3-amino-3-oxoprop-1-enyl)phenyl]prop-2-enamide
CID 2749161
4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]ethenyl]phenol;triiodovanadium
CID 157160802
4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol
CID 52942315

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)prop-2-enethioamide?
The IUPAC name of 3-(4-hydroxyphenyl)prop-2-enethioamide (CID 136649174) is 3-(4-hydroxyphenyl)prop-2-enethioamide.
What is the SMILES notation for 3-(4-hydroxyphenyl)prop-2-enethioamide?
The canonical SMILES for 3-(4-hydroxyphenyl)prop-2-enethioamide is NC(=S)C=Cc1ccc(O)cc1.
What is the InChIKey of 3-(4-hydroxyphenyl)prop-2-enethioamide?
The InChIKey is PQFKSRJQZUSSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOS/c10-9(12)6-3-7-1-4-8(11)5-2-7/h1-6,11H,(H2,10,12).
What are the key properties of 3-(4-hydroxyphenyl)prop-2-enethioamide?
3-(4-hydroxyphenyl)prop-2-enethioamide has a molecular weight of 179.24 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)prop-2-enethioamide is sourced from PubChem (CID 136649174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).