2-(4-propan-2-ylphenoxy)ethanethioamide

C11H15NOS — CID 7745462

IUPAC2-(4-propan-2-ylphenoxy)ethanethioamide
SMILESCC(C)c1ccc(OCC(N)=S)cc1
InChIInChI=1S/C11H15NOS/c1-8(2)9-3-5-10(6-4-9)13-7-11(12)14/h3-6,8H,7H2,1-2H3,(H2,12,14)
InChIKeyVWDNBWCBLLQLMR-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.47
Rot. Bonds4

About 2-(4-propan-2-ylphenoxy)ethanethioamide

2-(4-propan-2-ylphenoxy)ethanethioamide (PubChem CID 7745462) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenoxy)ethanethioamide.

Molecular Properties

Compound Name2-(4-propan-2-ylphenoxy)ethanethioamide
PubChem CID7745462
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name2-(4-propan-2-ylphenoxy)ethanethioamide
SMILESCC(C)c1ccc(OCC(N)=S)cc1
InChIInChI=1S/C11H15NOS/c1-8(2)9-3-5-10(6-4-9)13-7-11(12)14/h3-6,8H,7H2,1-2H3,(H2,12,14)
InChIKeyVWDNBWCBLLQLMR-UHFFFAOYSA-N
XLogP2.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-propan-2-ylphenoxy)ethanethioamide 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

4-(4-propan-2-ylphenoxy)butanethioamide
CID 24692673
2-(4-methylphenoxy)ethanethioamide
CID 7745454
2-(4-propan-2-ylphenoxy)acetohydrazide
CID 968935
N-(2-carbamothioylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 39158645
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-propan-2-ylphenoxy)propanamide
CID 43291261
3-(4-propan-2-ylphenyl)butanethioamide
CID 83939082
2-naphthalen-2-yloxyethanethioamide
CID 7454258
acetyl 2-(4-propan-2-ylphenoxy)acetate
CID 87594252
2-[4-(2-methoxyethyl)phenoxy]ethanethioamide
CID 43352082
2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbothioamide
CID 82423825
1-(fluoromethoxy)-4-propan-2-ylbenzene
CID 90078626
N-(3-carbamothioylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 39158644

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenoxy)ethanethioamide?
The IUPAC name of 2-(4-propan-2-ylphenoxy)ethanethioamide (CID 7745462) is 2-(4-propan-2-ylphenoxy)ethanethioamide.
What is the SMILES notation for 2-(4-propan-2-ylphenoxy)ethanethioamide?
The canonical SMILES for 2-(4-propan-2-ylphenoxy)ethanethioamide is CC(C)c1ccc(OCC(N)=S)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenoxy)ethanethioamide?
The InChIKey is VWDNBWCBLLQLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-8(2)9-3-5-10(6-4-9)13-7-11(12)14/h3-6,8H,7H2,1-2H3,(H2,12,14).
What are the key properties of 2-(4-propan-2-ylphenoxy)ethanethioamide?
2-(4-propan-2-ylphenoxy)ethanethioamide has a molecular weight of 209.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenoxy)ethanethioamide is sourced from PubChem (CID 7745462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).