methyl 2-methylsulfanylethanimidate

C4H9NOS — CID 14860729

IUPACmethyl 2-methylsulfanylethanimidate
SMILES[H]/N=C(/CSC)OC
InChIInChI=1S/C4H9NOS/c1-6-4(5)3-7-2/h5H,3H2,1-2H3/b5-4-
InChIKeyKCSFUNDHFXFJEU-PLNGDYQASA-N
MW119.19 g/mol
LogP0.97
Rot. Bonds2

About methyl 2-methylsulfanylethanimidate

methyl 2-methylsulfanylethanimidate (PubChem CID 14860729) has the molecular formula C4H9NOS and a molecular weight of 119.19 g/mol. Its IUPAC name is methyl 2-methylsulfanylethanimidate.

Molecular Properties

Compound Namemethyl 2-methylsulfanylethanimidate
PubChem CID14860729
Molecular FormulaC4H9NOS
Molecular Weight119.19 g/mol
Exact Mass119.04
IUPAC Namemethyl 2-methylsulfanylethanimidate
SMILES[H]/N=C(/CSC)OC
InChIInChI=1S/C4H9NOS/c1-6-4(5)3-7-2/h5H,3H2,1-2H3/b5-4-
InChIKeyKCSFUNDHFXFJEU-PLNGDYQASA-N
XLogP0.97
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.19
LogP ≤ 50.97
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 methyl 2-methylsulfanylethanimidate?
The IUPAC name of methyl 2-methylsulfanylethanimidate (CID 14860729) is methyl 2-methylsulfanylethanimidate.
What is the SMILES notation for methyl 2-methylsulfanylethanimidate?
The canonical SMILES for methyl 2-methylsulfanylethanimidate is [H]/N=C(/CSC)OC.
What is the InChIKey of methyl 2-methylsulfanylethanimidate?
The InChIKey is KCSFUNDHFXFJEU-PLNGDYQASA-N. The full InChI is InChI=1S/C4H9NOS/c1-6-4(5)3-7-2/h5H,3H2,1-2H3/b5-4-.
What are the key properties of methyl 2-methylsulfanylethanimidate?
methyl 2-methylsulfanylethanimidate has a molecular weight of 119.19 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylsulfanylethanimidate is sourced from PubChem (CID 14860729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).