2-[2-(2-butoxyethoxy)ethoxy]ethyl carbamimidothioate

C11H24N2O3S — CID 104568452

IUPAC2-[2-(2-butoxyethoxy)ethoxy]ethyl carbamimidothioate
SMILES[H]/N=C(\N)SCCOCCOCCOCCCC
InChIInChI=1S/C11H24N2O3S/c1-2-3-4-14-5-6-15-7-8-16-9-10-17-11(12)13/h2-10H2,1H3,(H3,12,13)
InChIKeyLDWKDJUJNQDXIQ-UHFFFAOYSA-N
MW264.39 g/mol
LogP1.46
Rot. Bonds12

About 2-[2-(2-butoxyethoxy)ethoxy]ethyl carbamimidothioate

2-[2-(2-butoxyethoxy)ethoxy]ethyl carbamimidothioate (PubChem CID 104568452) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-[2-(2-butoxyethoxy)ethoxy]ethyl carbamimidothioate.

Molecular Properties

Compound Name2-[2-(2-butoxyethoxy)ethoxy]ethyl carbamimidothioate
PubChem CID104568452
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name2-[2-(2-butoxyethoxy)ethoxy]ethyl carbamimidothioate
SMILES[H]/N=C(\N)SCCOCCOCCOCCCC
InChIInChI=1S/C11H24N2O3S/c1-2-3-4-14-5-6-15-7-8-16-9-10-17-11(12)13/h2-10H2,1H3,(H3,12,13)
InChIKeyLDWKDJUJNQDXIQ-UHFFFAOYSA-N
XLogP1.46
TPSA77.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(2-methoxyethoxy)propyl carbamimidothioate
CID 103415011
3-ethoxypropyl carbamimidothioate
CID 65212394
2-(2-hydroxyethoxy)ethyl carbamimidothioate
CID 65212281
3-[2-(2-butoxyethoxy)ethoxy]propanimidamide
CID 104563635
propoxymethyl carbamimidothioate
CID 55288894
hexyl carbamimidothioate;thiourea;hydrobromide
CID 159769059
[(Z)-octadec-9-enyl] carbamimidothioate
CID 132599711
2-carbamimidoylsulfanylethyl carbamimidothioate dibromide
CID 21236844
2-(3,5-dimethylphenoxy)ethyl carbamimidothioate
CID 36522087
3-(2-butoxyethoxy)butanimidamide
CID 114995138
2-carbamimidoylsulfanylethyl N-methylcarbamate
CID 39388413
(4-pentoxyphenyl)methyl carbamimidothioate;hydrochloride
CID 44658057

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-butoxyethoxy)ethoxy]ethyl carbamimidothioate?
The IUPAC name of 2-[2-(2-butoxyethoxy)ethoxy]ethyl carbamimidothioate (CID 104568452) is 2-[2-(2-butoxyethoxy)ethoxy]ethyl carbamimidothioate.
What is the SMILES notation for 2-[2-(2-butoxyethoxy)ethoxy]ethyl carbamimidothioate?
The canonical SMILES for 2-[2-(2-butoxyethoxy)ethoxy]ethyl carbamimidothioate is [H]/N=C(\N)SCCOCCOCCOCCCC.
What is the InChIKey of 2-[2-(2-butoxyethoxy)ethoxy]ethyl carbamimidothioate?
The InChIKey is LDWKDJUJNQDXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-2-3-4-14-5-6-15-7-8-16-9-10-17-11(12)13/h2-10H2,1H3,(H3,12,13).
What are the key properties of 2-[2-(2-butoxyethoxy)ethoxy]ethyl carbamimidothioate?
2-[2-(2-butoxyethoxy)ethoxy]ethyl carbamimidothioate has a molecular weight of 264.39 g/mol, XLogP of 1.46, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-butoxyethoxy)ethoxy]ethyl carbamimidothioate is sourced from PubChem (CID 104568452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).