4-(2-butoxyethoxy)butanethioamide

C10H21NO2S — CID 29002192

IUPAC4-(2-butoxyethoxy)butanethioamide
SMILESCCCCOCCOCCCC(N)=S
InChIInChI=1S/C10H21NO2S/c1-2-3-6-12-8-9-13-7-4-5-10(11)14/h2-9H2,1H3,(H2,11,14)
InChIKeyIVVLTNZTYATNIA-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.89
Rot. Bonds10

About 4-(2-butoxyethoxy)butanethioamide

4-(2-butoxyethoxy)butanethioamide (PubChem CID 29002192) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 4-(2-butoxyethoxy)butanethioamide.

Molecular Properties

Compound Name4-(2-butoxyethoxy)butanethioamide
PubChem CID29002192
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name4-(2-butoxyethoxy)butanethioamide
SMILESCCCCOCCOCCCC(N)=S
InChIInChI=1S/C10H21NO2S/c1-2-3-6-12-8-9-13-7-4-5-10(11)14/h2-9H2,1H3,(H2,11,14)
InChIKeyIVVLTNZTYATNIA-UHFFFAOYSA-N
XLogP1.89
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.89
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-butoxyethoxy)butanethioamide?
The IUPAC name of 4-(2-butoxyethoxy)butanethioamide (CID 29002192) is 4-(2-butoxyethoxy)butanethioamide.
What is the SMILES notation for 4-(2-butoxyethoxy)butanethioamide?
The canonical SMILES for 4-(2-butoxyethoxy)butanethioamide is CCCCOCCOCCCC(N)=S.
What is the InChIKey of 4-(2-butoxyethoxy)butanethioamide?
The InChIKey is IVVLTNZTYATNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-2-3-6-12-8-9-13-7-4-5-10(11)14/h2-9H2,1H3,(H2,11,14).
What are the key properties of 4-(2-butoxyethoxy)butanethioamide?
4-(2-butoxyethoxy)butanethioamide has a molecular weight of 219.35 g/mol, XLogP of 1.89, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butoxyethoxy)butanethioamide is sourced from PubChem (CID 29002192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).