ethyl 2-ethylsulfanylethanimidate

C6H13NOS — CID 65127614

IUPACethyl 2-ethylsulfanylethanimidate
SMILES[H]/N=C(/CSCC)OCC
InChIInChI=1S/C6H13NOS/c1-3-8-6(7)5-9-4-2/h7H,3-5H2,1-2H3/b7-6-
InChIKeyUMDKERFEPGKJQS-SREVYHEPSA-N
MW147.24 g/mol
LogP1.75
Rot. Bonds4

About ethyl 2-ethylsulfanylethanimidate

ethyl 2-ethylsulfanylethanimidate (PubChem CID 65127614) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is ethyl 2-ethylsulfanylethanimidate.

Molecular Properties

Compound Nameethyl 2-ethylsulfanylethanimidate
PubChem CID65127614
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Nameethyl 2-ethylsulfanylethanimidate
SMILES[H]/N=C(/CSCC)OCC
InChIInChI=1S/C6H13NOS/c1-3-8-6(7)5-9-4-2/h7H,3-5H2,1-2H3/b7-6-
InChIKeyUMDKERFEPGKJQS-SREVYHEPSA-N
XLogP1.75
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 51.75
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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Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethylsulfanylethanimidate?
The IUPAC name of ethyl 2-ethylsulfanylethanimidate (CID 65127614) is ethyl 2-ethylsulfanylethanimidate.
What is the SMILES notation for ethyl 2-ethylsulfanylethanimidate?
The canonical SMILES for ethyl 2-ethylsulfanylethanimidate is [H]/N=C(/CSCC)OCC.
What is the InChIKey of ethyl 2-ethylsulfanylethanimidate?
The InChIKey is UMDKERFEPGKJQS-SREVYHEPSA-N. The full InChI is InChI=1S/C6H13NOS/c1-3-8-6(7)5-9-4-2/h7H,3-5H2,1-2H3/b7-6-.
What are the key properties of ethyl 2-ethylsulfanylethanimidate?
ethyl 2-ethylsulfanylethanimidate has a molecular weight of 147.24 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethylsulfanylethanimidate is sourced from PubChem (CID 65127614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).