4-(2-ethoxyethoxy)butanethioamide

C8H17NO2S — CID 24701911

IUPAC4-(2-ethoxyethoxy)butanethioamide
SMILESCCOCCOCCCC(N)=S
InChIInChI=1S/C8H17NO2S/c1-2-10-6-7-11-5-3-4-8(9)12/h2-7H2,1H3,(H2,9,12)
InChIKeyZTDHPBRHIQOPTF-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.11
Rot. Bonds8

About 4-(2-ethoxyethoxy)butanethioamide

4-(2-ethoxyethoxy)butanethioamide (PubChem CID 24701911) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 4-(2-ethoxyethoxy)butanethioamide.

Molecular Properties

Compound Name4-(2-ethoxyethoxy)butanethioamide
PubChem CID24701911
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name4-(2-ethoxyethoxy)butanethioamide
SMILESCCOCCOCCCC(N)=S
InChIInChI=1S/C8H17NO2S/c1-2-10-6-7-11-5-3-4-8(9)12/h2-7H2,1H3,(H2,9,12)
InChIKeyZTDHPBRHIQOPTF-UHFFFAOYSA-N
XLogP1.11
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.11
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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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethoxy)butanethioamide?
The IUPAC name of 4-(2-ethoxyethoxy)butanethioamide (CID 24701911) is 4-(2-ethoxyethoxy)butanethioamide.
What is the SMILES notation for 4-(2-ethoxyethoxy)butanethioamide?
The canonical SMILES for 4-(2-ethoxyethoxy)butanethioamide is CCOCCOCCCC(N)=S.
What is the InChIKey of 4-(2-ethoxyethoxy)butanethioamide?
The InChIKey is ZTDHPBRHIQOPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-2-10-6-7-11-5-3-4-8(9)12/h2-7H2,1H3,(H2,9,12).
What are the key properties of 4-(2-ethoxyethoxy)butanethioamide?
4-(2-ethoxyethoxy)butanethioamide has a molecular weight of 191.30 g/mol, XLogP of 1.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethoxy)butanethioamide is sourced from PubChem (CID 24701911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).