methyl (1E)-N-(methylcarbamoyloxy)ethanimidothioate

C5H10N2O2S — CID 5353758

IUPACmethyl (1E)-N-(methylcarbamoyloxy)ethanimidothioate
SMILESCNC(=O)O/N=C(\C)SC
InChIInChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)/b7-4+
InChIKeyUHXUZOCRWCRNSJ-QPJJXVBHSA-N
MW162.21 g/mol
LogP1.04
Rot. Bonds1

About methyl (1E)-N-(methylcarbamoyloxy)ethanimidothioate

methyl (1E)-N-(methylcarbamoyloxy)ethanimidothioate (PubChem CID 5353758) has the molecular formula C5H10N2O2S and a molecular weight of 162.21 g/mol. Its IUPAC name is methyl (1E)-N-(methylcarbamoyloxy)ethanimidothioate.

Molecular Properties

Compound Namemethyl (1E)-N-(methylcarbamoyloxy)ethanimidothioate
PubChem CID5353758
Molecular FormulaC5H10N2O2S
Molecular Weight162.21 g/mol
Exact Mass162.05
IUPAC Namemethyl (1E)-N-(methylcarbamoyloxy)ethanimidothioate
SMILESCNC(=O)O/N=C(\C)SC
InChIInChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)/b7-4+
InChIKeyUHXUZOCRWCRNSJ-QPJJXVBHSA-N
XLogP1.04
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 51.04
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': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Methomyl
CID 4109
Oxamyl
CID 31657
Butocarboxim
CID 36879
Ethanimidothioic acid, 2-(dimethylamino)-N-(((methylamino)carbonyl)oxy)-2-oxo-, methyl ester
CID 9595287
(Z)-Methomyl
CID 5360521
3-Thiahexan-2-one, O-(methylcarbamoyl)oxime
CID 6507248
2-Oxoethyl (1E)-2-amino-N-[(methylcarbamoyl)oxy]ethanimidoth
CID 16205719
Acetimidic acid, N-((methylcarbamoyl)oxy)thio-, ethyl ester
CID 9570353
1,4-Dithian-2-one, O-((methylamino)carbonyl)oxime
CID 9570629
1,3-Dithiolan-4-one, O-((methylamino)carbonyl)oxime
CID 9570653
[(E)-3-methylsulfanylbutan-2-ylideneamino] N-methylcarbamate
CID 5360962
(2E)-2-(([(Methylamino)carbonyl]oxy)imino)-3-(methylsulfanyl)butane
CID 5368008

Frequently Asked Questions

What is the IUPAC name of methyl (1E)-N-(methylcarbamoyloxy)ethanimidothioate?
The IUPAC name of methyl (1E)-N-(methylcarbamoyloxy)ethanimidothioate (CID 5353758) is methyl (1E)-N-(methylcarbamoyloxy)ethanimidothioate.
What is the SMILES notation for methyl (1E)-N-(methylcarbamoyloxy)ethanimidothioate?
The canonical SMILES for methyl (1E)-N-(methylcarbamoyloxy)ethanimidothioate is CNC(=O)O/N=C(\C)SC.
What is the InChIKey of methyl (1E)-N-(methylcarbamoyloxy)ethanimidothioate?
The InChIKey is UHXUZOCRWCRNSJ-QPJJXVBHSA-N. The full InChI is InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)/b7-4+.
What are the key properties of methyl (1E)-N-(methylcarbamoyloxy)ethanimidothioate?
methyl (1E)-N-(methylcarbamoyloxy)ethanimidothioate has a molecular weight of 162.21 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1E)-N-(methylcarbamoyloxy)ethanimidothioate is sourced from PubChem (CID 5353758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).