ethyl 2-methylsulfanylethanimidate

C5H11NOS — CID 53403808

IUPACethyl 2-methylsulfanylethanimidate
SMILES[H]/N=C(\CSC)OCC
InChIInChI=1S/C5H11NOS/c1-3-7-5(6)4-8-2/h6H,3-4H2,1-2H3/b6-5+
InChIKeyGUTOZQAJWAALDO-AATRIKPKSA-N
MW133.22 g/mol
LogP1.36
Rot. Bonds3

About ethyl 2-methylsulfanylethanimidate

ethyl 2-methylsulfanylethanimidate (PubChem CID 53403808) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is ethyl 2-methylsulfanylethanimidate.

Molecular Properties

Compound Nameethyl 2-methylsulfanylethanimidate
PubChem CID53403808
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC Nameethyl 2-methylsulfanylethanimidate
SMILES[H]/N=C(\CSC)OCC
InChIInChI=1S/C5H11NOS/c1-3-7-5(6)4-8-2/h6H,3-4H2,1-2H3/b6-5+
InChIKeyGUTOZQAJWAALDO-AATRIKPKSA-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

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CID 85647413
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CID 86200561
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CID 21816789
CID 21816789
CID 14860729
CID 14860729
CID 14860730
CID 14860730
CID 20369324
CID 20369324
CID 20369325
CID 20369325
CID 54283054
CID 54283054
CID 54468056
CID 54468056
CID 87238196
CID 87238196

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylsulfanylethanimidate?
The IUPAC name of ethyl 2-methylsulfanylethanimidate (CID 53403808) is ethyl 2-methylsulfanylethanimidate.
What is the SMILES notation for ethyl 2-methylsulfanylethanimidate?
The canonical SMILES for ethyl 2-methylsulfanylethanimidate is [H]/N=C(\CSC)OCC.
What is the InChIKey of ethyl 2-methylsulfanylethanimidate?
The InChIKey is GUTOZQAJWAALDO-AATRIKPKSA-N. The full InChI is InChI=1S/C5H11NOS/c1-3-7-5(6)4-8-2/h6H,3-4H2,1-2H3/b6-5+.
What are the key properties of ethyl 2-methylsulfanylethanimidate?
ethyl 2-methylsulfanylethanimidate 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 ethyl 2-methylsulfanylethanimidate is sourced from PubChem (CID 53403808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).