methyl 2-methylsulfanylethanimidate;hydrochloride

C4H10ClNOS — CID 14860730

IUPACmethyl 2-methylsulfanylethanimidate;hydrochloride
SMILESCl.[H]/N=C(/CSC)OC
InChIInChI=1S/C4H9NOS.ClH/c1-6-4(5)3-7-2;/h5H,3H2,1-2H3;1H/b5-4-;
InChIKeyMFZHXNQOYAMHDR-MKWAYWHRSA-N
MW155.65 g/mol
LogP1.39
Rot. Bonds2

About methyl 2-methylsulfanylethanimidate;hydrochloride

methyl 2-methylsulfanylethanimidate;hydrochloride (PubChem CID 14860730) has the molecular formula C4H10ClNOS and a molecular weight of 155.65 g/mol. Its IUPAC name is methyl 2-methylsulfanylethanimidate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-methylsulfanylethanimidate;hydrochloride
PubChem CID14860730
Molecular FormulaC4H10ClNOS
Molecular Weight155.65 g/mol
Exact Mass155.02
IUPAC Namemethyl 2-methylsulfanylethanimidate;hydrochloride
SMILESCl.[H]/N=C(/CSC)OC
InChIInChI=1S/C4H9NOS.ClH/c1-6-4(5)3-7-2;/h5H,3H2,1-2H3;1H/b5-4-;
InChIKeyMFZHXNQOYAMHDR-MKWAYWHRSA-N
XLogP1.39
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.65
LogP ≤ 51.39
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'}

Analyze methyl 2-methylsulfanylethanimidate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-methylsulfanylethanimidate;hydrochloride?
The IUPAC name of methyl 2-methylsulfanylethanimidate;hydrochloride (CID 14860730) is methyl 2-methylsulfanylethanimidate;hydrochloride.
What is the SMILES notation for methyl 2-methylsulfanylethanimidate;hydrochloride?
The canonical SMILES for methyl 2-methylsulfanylethanimidate;hydrochloride is Cl.[H]/N=C(/CSC)OC.
What is the InChIKey of methyl 2-methylsulfanylethanimidate;hydrochloride?
The InChIKey is MFZHXNQOYAMHDR-MKWAYWHRSA-N. The full InChI is InChI=1S/C4H9NOS.ClH/c1-6-4(5)3-7-2;/h5H,3H2,1-2H3;1H/b5-4-;.
What are the key properties of methyl 2-methylsulfanylethanimidate;hydrochloride?
methyl 2-methylsulfanylethanimidate;hydrochloride has a molecular weight of 155.65 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylsulfanylethanimidate;hydrochloride is sourced from PubChem (CID 14860730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).