methyl 2-ethylsulfanylethanimidate

C5H11NOS — CID 14585066

IUPACmethyl 2-ethylsulfanylethanimidate
SMILES[H]/N=C(/CSCC)OC
InChIInChI=1S/C5H11NOS/c1-3-8-4-5(6)7-2/h6H,3-4H2,1-2H3/b6-5-
InChIKeyAOKBBVMRJNUFTG-WAYWQWQTSA-N
MW133.22 g/mol
LogP1.36
Rot. Bonds3

About methyl 2-ethylsulfanylethanimidate

methyl 2-ethylsulfanylethanimidate (PubChem CID 14585066) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is methyl 2-ethylsulfanylethanimidate.

Molecular Properties

Compound Namemethyl 2-ethylsulfanylethanimidate
PubChem CID14585066
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC Namemethyl 2-ethylsulfanylethanimidate
SMILES[H]/N=C(/CSCC)OC
InChIInChI=1S/C5H11NOS/c1-3-8-4-5(6)7-2/h6H,3-4H2,1-2H3/b6-5-
InChIKeyAOKBBVMRJNUFTG-WAYWQWQTSA-N
XLogP1.36
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-(methylsulfanyl)ethanimidate hydrochloride
CID 85815275
Methyl 3-(methylsulfanyl)propanimidate
CID 13392591
Ethyl 2-(methylsulfanyl)ethanimidate
CID 53403808
Ethyl 3-ethylsulfanylpropanimidate
CID 86200561
Methyl 2-(methylthio)acetimidate
CID 14860729
Methyl2-(methylthio)acetimidatehydrochloride
CID 14860730
Ethyl 2-methoxyethanimidothioate;hydrochloride
CID 20369324
Ethyl 2-methoxyethanimidothioate
CID 20369325
Ethyl 2-(2-methoxyethylsulfanyl)ethanimidate
CID 54283054
(2-Ethoxy-2-iminoethyl)-dimethylsulfanium
CID 88478922
Ethyl 2-(2-methoxyethylsulfanyl)ethanimidate;hydrochloride
CID 141792319
1-Methoxyethyl ethanimidothioate
CID 155275911

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethylsulfanylethanimidate?
The IUPAC name of methyl 2-ethylsulfanylethanimidate (CID 14585066) is methyl 2-ethylsulfanylethanimidate.
What is the SMILES notation for methyl 2-ethylsulfanylethanimidate?
The canonical SMILES for methyl 2-ethylsulfanylethanimidate is [H]/N=C(/CSCC)OC.
What is the InChIKey of methyl 2-ethylsulfanylethanimidate?
The InChIKey is AOKBBVMRJNUFTG-WAYWQWQTSA-N. The full InChI is InChI=1S/C5H11NOS/c1-3-8-4-5(6)7-2/h6H,3-4H2,1-2H3/b6-5-.
What are the key properties of methyl 2-ethylsulfanylethanimidate?
methyl 2-ethylsulfanylethanimidate has a molecular weight of 133.22 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethylsulfanylethanimidate is sourced from PubChem (CID 14585066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).