2-(2-phenoxyethoxy)ethanethioamide

C10H13NO2S — CID 24693091

IUPAC2-(2-phenoxyethoxy)ethanethioamide
SMILESNC(=S)COCCOc1ccccc1
InChIInChI=1S/C10H13NO2S/c11-10(14)8-12-6-7-13-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,11,14)
InChIKeyWFRFMSAYCIMETA-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.37
Rot. Bonds6

About 2-(2-phenoxyethoxy)ethanethioamide

2-(2-phenoxyethoxy)ethanethioamide (PubChem CID 24693091) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-(2-phenoxyethoxy)ethanethioamide.

Molecular Properties

Compound Name2-(2-phenoxyethoxy)ethanethioamide
PubChem CID24693091
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name2-(2-phenoxyethoxy)ethanethioamide
SMILESNC(=S)COCCOc1ccccc1
InChIInChI=1S/C10H13NO2S/c11-10(14)8-12-6-7-13-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,11,14)
InChIKeyWFRFMSAYCIMETA-UHFFFAOYSA-N
XLogP1.37
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.37
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

ethane;2-[4-(2-phenoxyethoxy)butoxy]acetamide
CID 142386396
2-(2-phenoxyethoxy)ethanimidamide
CID 24689502
2-(2-phenoxyethoxy)ethanol
CID 7715
2-methyl-3-(2-phenoxyethoxy)propanethioamide
CID 43368607
2-[1-(2-phenoxyethoxymethyl)cyclopropyl]ethanethioamide
CID 65496626
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 154643071
2-(2-phenoxyethoxy)ethanol;hydrate
CID 176895463
2-(3-bromopropoxy)ethoxybenzene
CID 43135436
3-[2-(2-phenoxyethoxy)ethoxy]propan-1-amine
CID 21297450
2-(4-phenoxybutoxy)acetamide
CID 122703944
2-(7-phenoxyheptoxy)acetamide
CID 153330522
2-(3-chloropropoxy)ethoxybenzene
CID 24689326

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyethoxy)ethanethioamide?
The IUPAC name of 2-(2-phenoxyethoxy)ethanethioamide (CID 24693091) is 2-(2-phenoxyethoxy)ethanethioamide.
What is the SMILES notation for 2-(2-phenoxyethoxy)ethanethioamide?
The canonical SMILES for 2-(2-phenoxyethoxy)ethanethioamide is NC(=S)COCCOc1ccccc1.
What is the InChIKey of 2-(2-phenoxyethoxy)ethanethioamide?
The InChIKey is WFRFMSAYCIMETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c11-10(14)8-12-6-7-13-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,11,14).
What are the key properties of 2-(2-phenoxyethoxy)ethanethioamide?
2-(2-phenoxyethoxy)ethanethioamide has a molecular weight of 211.29 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyethoxy)ethanethioamide is sourced from PubChem (CID 24693091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).