1-[2-(dibutylamino)ethoxy]ethanethiol

C12H27NOS — CID 142712931

IUPAC1-[2-(dibutylamino)ethoxy]ethanethiol
SMILESCCCCN(CCCC)CCOC(C)S
InChIInChI=1S/C12H27NOS/c1-4-6-8-13(9-7-5-2)10-11-14-12(3)15/h12,15H,4-11H2,1-3H3
InChIKeyBPLFQZNQGZQDQM-UHFFFAOYSA-N
MW233.42 g/mol
LogP3.18
Rot. Bonds10

About 1-[2-(dibutylamino)ethoxy]ethanethiol

1-[2-(dibutylamino)ethoxy]ethanethiol (PubChem CID 142712931) has the molecular formula C12H27NOS and a molecular weight of 233.42 g/mol. Its IUPAC name is 1-[2-(dibutylamino)ethoxy]ethanethiol.

Molecular Properties

Compound Name1-[2-(dibutylamino)ethoxy]ethanethiol
PubChem CID142712931
Molecular FormulaC12H27NOS
Molecular Weight233.42 g/mol
Exact Mass233.18
IUPAC Name1-[2-(dibutylamino)ethoxy]ethanethiol
SMILESCCCCN(CCCC)CCOC(C)S
InChIInChI=1S/C12H27NOS/c1-4-6-8-13(9-7-5-2)10-11-14-12(3)15/h12,15H,4-11H2,1-3H3
InChIKeyBPLFQZNQGZQDQM-UHFFFAOYSA-N
XLogP3.18
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-pentoxyethanethiol
CID 173039509
N,N-bis(2-ethoxyethyl)butan-1-amine
CID 91213413
N,N-dibutylbutan-1-amine;trihydrate
CID 173345147
N,N-dibutylbutan-1-amine;tetrahydrate
CID 172865997
N,N,N',N'-tetrabutylethane-1,2-diamine
CID 5224972
N-butyl-N-[2-[2-(diethylamino)ethoxy]ethyl]butan-1-amine
CID 19822695
N-(3-butoxypropyl)-N-butylbutan-1-amine
CID 152720768
N,N-dibutylbutan-1-amine;hydrogen peroxide
CID 87070191
N,N-dibutylbutan-1-amine;molecular hydrogen
CID 174513596
bromomethane;N,N-dibutylbutan-1-amine
CID 87916924
N-butyl-N-(2-hexoxyethyl)butan-1-amine;hydrochloride
CID 131884842
N-(2-chloroethyl)-N-[2-(3-methylbutoxy)ethyl]butan-1-amine
CID 63389719

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dibutylamino)ethoxy]ethanethiol?
The IUPAC name of 1-[2-(dibutylamino)ethoxy]ethanethiol (CID 142712931) is 1-[2-(dibutylamino)ethoxy]ethanethiol.
What is the SMILES notation for 1-[2-(dibutylamino)ethoxy]ethanethiol?
The canonical SMILES for 1-[2-(dibutylamino)ethoxy]ethanethiol is CCCCN(CCCC)CCOC(C)S.
What is the InChIKey of 1-[2-(dibutylamino)ethoxy]ethanethiol?
The InChIKey is BPLFQZNQGZQDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NOS/c1-4-6-8-13(9-7-5-2)10-11-14-12(3)15/h12,15H,4-11H2,1-3H3.
What are the key properties of 1-[2-(dibutylamino)ethoxy]ethanethiol?
1-[2-(dibutylamino)ethoxy]ethanethiol has a molecular weight of 233.42 g/mol, XLogP of 3.18, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dibutylamino)ethoxy]ethanethiol is sourced from PubChem (CID 142712931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).