ethyl N-(methylcarbamoyloxy)ethanimidothioate

C6H12N2O2S — CID 29861

IUPACethyl N-(methylcarbamoyloxy)ethanimidothioate
SMILESCCSC(C)=NOC(=O)NC
InChIInChI=1S/C6H12N2O2S/c1-4-11-5(2)8-10-6(9)7-3/h4H2,1-3H3,(H,7,9)
InChIKeyXNOPWKPHVMIYSY-UHFFFAOYSA-N
MW176.24 g/mol
LogP1.43
Rot. Bonds2

About ethyl N-(methylcarbamoyloxy)ethanimidothioate

ethyl N-(methylcarbamoyloxy)ethanimidothioate (PubChem CID 29861) has the molecular formula C6H12N2O2S and a molecular weight of 176.24 g/mol. Its IUPAC name is ethyl N-(methylcarbamoyloxy)ethanimidothioate.

Molecular Properties

Compound Nameethyl N-(methylcarbamoyloxy)ethanimidothioate
PubChem CID29861
Molecular FormulaC6H12N2O2S
Molecular Weight176.24 g/mol
Exact Mass176.06
IUPAC Nameethyl N-(methylcarbamoyloxy)ethanimidothioate
SMILESCCSC(C)=NOC(=O)NC
InChIInChI=1S/C6H12N2O2S/c1-4-11-5(2)8-10-6(9)7-3/h4H2,1-3H3,(H,7,9)
InChIKeyXNOPWKPHVMIYSY-UHFFFAOYSA-N
XLogP1.43
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 51.43
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

octyl N-(methylcarbamoyloxy)ethanimidothioate
CID 71382707
methyl N-(methylcarbamoyloxy)ethanimidothioate
CID 4109
2-cyanoethyl (1E)-N-(methylcarbamoyloxy)ethanimidothioate
CID 5360854
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] N-(methylcarbamoyloxy)ethanimidothioate
CID 57069929
[(E)-[ethyl(methyl)-λ4-sulfanylidene]amino] N-methylcarbamate
CID 11435132
2-methylpropyl N-(methylcarbamoyloxy)propanimidothioate
CID 173461736
methyl N-(methylcarbamoyloxy)butanimidate
CID 173461577
2-cyanoethyl (1Z)-N-(methylcarbamoyloxy)ethanimidothioate;[(3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)amino] N-methylcarbamate
CID 87221909
ethenyl N-(methylcarbamoyloxy)propanimidothioate
CID 173461502
(1-ethylsulfonylbutan-2-ylideneamino) N-methylcarbamate
CID 54421868
ethynyl N-(methylcarbamoyloxy)butanimidothioate
CID 173461389
[(Z)-3-octylundecan-2-ylideneamino] N-methylcarbamate
CID 129223532

Frequently Asked Questions

What is the IUPAC name of ethyl N-(methylcarbamoyloxy)ethanimidothioate?
The IUPAC name of ethyl N-(methylcarbamoyloxy)ethanimidothioate (CID 29861) is ethyl N-(methylcarbamoyloxy)ethanimidothioate.
What is the SMILES notation for ethyl N-(methylcarbamoyloxy)ethanimidothioate?
The canonical SMILES for ethyl N-(methylcarbamoyloxy)ethanimidothioate is CCSC(C)=NOC(=O)NC.
What is the InChIKey of ethyl N-(methylcarbamoyloxy)ethanimidothioate?
The InChIKey is XNOPWKPHVMIYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2S/c1-4-11-5(2)8-10-6(9)7-3/h4H2,1-3H3,(H,7,9).
What are the key properties of ethyl N-(methylcarbamoyloxy)ethanimidothioate?
ethyl N-(methylcarbamoyloxy)ethanimidothioate has a molecular weight of 176.24 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(methylcarbamoyloxy)ethanimidothioate is sourced from PubChem (CID 29861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).