2-[4-(2-propoxyethoxy)phenyl]ethanethioamide

C13H19NO2S — CID 43291468

IUPAC2-[4-(2-propoxyethoxy)phenyl]ethanethioamide
SMILESCCCOCCOc1ccc(CC(N)=S)cc1
InChIInChI=1S/C13H19NO2S/c1-2-7-15-8-9-16-12-5-3-11(4-6-12)10-13(14)17/h3-6H,2,7-10H2,1H3,(H2,14,17)
InChIKeyHTTIPPALJMRAHJ-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.32
Rot. Bonds8

About 2-[4-(2-propoxyethoxy)phenyl]ethanethioamide

2-[4-(2-propoxyethoxy)phenyl]ethanethioamide (PubChem CID 43291468) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-[4-(2-propoxyethoxy)phenyl]ethanethioamide.

Molecular Properties

Compound Name2-[4-(2-propoxyethoxy)phenyl]ethanethioamide
PubChem CID43291468
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name2-[4-(2-propoxyethoxy)phenyl]ethanethioamide
SMILESCCCOCCOc1ccc(CC(N)=S)cc1
InChIInChI=1S/C13H19NO2S/c1-2-7-15-8-9-16-12-5-3-11(4-6-12)10-13(14)17/h3-6H,2,7-10H2,1H3,(H2,14,17)
InChIKeyHTTIPPALJMRAHJ-UHFFFAOYSA-N
XLogP2.32
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-butoxyethoxy)phenyl]ethanethioamide
CID 43291475
2-[4-(2-pentan-2-yloxyethoxy)phenyl]ethanethioamide
CID 102981871
2-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]ethanethioamide
CID 43290677
2-[4-(3-methoxypropoxy)phenyl]ethanethioamide
CID 60926331
2-[4-[2-(2,2,3,3-tetrafluoropropoxy)ethoxy]phenyl]ethanethioamide
CID 43291426
2-[4-[2-[butyl(methyl)amino]ethoxy]phenyl]ethanethioamide
CID 43290319
2-[4-[2-[2-ethoxyethyl(methyl)amino]ethoxy]phenyl]ethanethioamide
CID 81056606
2-[4-[2-(4-methylcyclohexyl)oxyethoxy]phenyl]ethanethioamide
CID 43291208
2-[4-[2-[methyl(pentan-2-yl)amino]ethoxy]phenyl]ethanethioamide
CID 43572109
2-[4-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]ethanethioamide
CID 43290703
1-butyl-4-(2-propoxyethoxy)benzene
CID 118150005
2-[4-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]phenyl]ethanethioamide
CID 54879731

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-propoxyethoxy)phenyl]ethanethioamide?
The IUPAC name of 2-[4-(2-propoxyethoxy)phenyl]ethanethioamide (CID 43291468) is 2-[4-(2-propoxyethoxy)phenyl]ethanethioamide.
What is the SMILES notation for 2-[4-(2-propoxyethoxy)phenyl]ethanethioamide?
The canonical SMILES for 2-[4-(2-propoxyethoxy)phenyl]ethanethioamide is CCCOCCOc1ccc(CC(N)=S)cc1.
What is the InChIKey of 2-[4-(2-propoxyethoxy)phenyl]ethanethioamide?
The InChIKey is HTTIPPALJMRAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-2-7-15-8-9-16-12-5-3-11(4-6-12)10-13(14)17/h3-6H,2,7-10H2,1H3,(H2,14,17).
What are the key properties of 2-[4-(2-propoxyethoxy)phenyl]ethanethioamide?
2-[4-(2-propoxyethoxy)phenyl]ethanethioamide has a molecular weight of 253.37 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-propoxyethoxy)phenyl]ethanethioamide is sourced from PubChem (CID 43291468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).