methyl N-hydroxysulfanylethanimidate

C3H7NO2S — CID 71346586

IUPACmethyl N-hydroxysulfanylethanimidate
SMILESCOC(C)=NSO
InChIInChI=1S/C3H7NO2S/c1-3(6-2)4-7-5/h5H,1-2H3
InChIKeySJMNGKKFHCMACW-UHFFFAOYSA-N
MW121.16 g/mol
LogP1.17
Rot. Bonds1

About methyl N-hydroxysulfanylethanimidate

methyl N-hydroxysulfanylethanimidate (PubChem CID 71346586) has the molecular formula C3H7NO2S and a molecular weight of 121.16 g/mol. Its IUPAC name is methyl N-hydroxysulfanylethanimidate.

Molecular Properties

Compound Namemethyl N-hydroxysulfanylethanimidate
PubChem CID71346586
Molecular FormulaC3H7NO2S
Molecular Weight121.16 g/mol
Exact Mass121.02
IUPAC Namemethyl N-hydroxysulfanylethanimidate
SMILESCOC(C)=NSO
InChIInChI=1S/C3H7NO2S/c1-3(6-2)4-7-5/h5H,1-2H3
InChIKeySJMNGKKFHCMACW-UHFFFAOYSA-N
XLogP1.17
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.16
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-hydroxysulfanylethanimidate?
The IUPAC name of methyl N-hydroxysulfanylethanimidate (CID 71346586) is methyl N-hydroxysulfanylethanimidate.
What is the SMILES notation for methyl N-hydroxysulfanylethanimidate?
The canonical SMILES for methyl N-hydroxysulfanylethanimidate is COC(C)=NSO.
What is the InChIKey of methyl N-hydroxysulfanylethanimidate?
The InChIKey is SJMNGKKFHCMACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2S/c1-3(6-2)4-7-5/h5H,1-2H3.
What are the key properties of methyl N-hydroxysulfanylethanimidate?
methyl N-hydroxysulfanylethanimidate has a molecular weight of 121.16 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-hydroxysulfanylethanimidate is sourced from PubChem (CID 71346586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).