ethane;ethyl N-ethenylethanimidothioate

C8H17NS — CID 143602053

IUPACethane;ethyl N-ethenylethanimidothioate
SMILESC=C/N=C(\C)SCC.CC
InChIInChI=1S/C6H11NS.C2H6/c1-4-7-6(3)8-5-2;1-2/h4H,1,5H2,2-3H3;1-2H3/b7-6+;
InChIKeyVTKGXWJIPDCZRD-UHDJGPCESA-N
MW159.30 g/mol
LogP3.33
Rot. Bonds2

About ethane;ethyl N-ethenylethanimidothioate

ethane;ethyl N-ethenylethanimidothioate (PubChem CID 143602053) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is ethane;ethyl N-ethenylethanimidothioate.

Molecular Properties

Compound Nameethane;ethyl N-ethenylethanimidothioate
PubChem CID143602053
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Nameethane;ethyl N-ethenylethanimidothioate
SMILESC=C/N=C(\C)SCC.CC
InChIInChI=1S/C6H11NS.C2H6/c1-4-7-6(3)8-5-2;1-2/h4H,1,5H2,2-3H3;1-2H3/b7-6+;
InChIKeyVTKGXWJIPDCZRD-UHDJGPCESA-N
XLogP3.33
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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ethane;N-ethenylpent-1-en-3-imine
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ethane;ethenyl N-ethenylethanimidate
CID 143602013
2-amino-N'-ethenyl-3-methylbut-2-enimidamide;ethane;ethene
CID 142067318
ethane;(Z)-2-ethylsulfanylpent-2-ene
CID 143358355
[ethenyl-(N-ethenyl-C-ethylcarbonimidoyl)amino] thiohypoiodite
CID 153398429
ethane;N-ethenylethanimine;propane
CID 143338829
ethane;N-ethenylethanimine;propanal
CID 143779981
ethane;N'-ethenyl-N-prop-2-enylideneethanimidamide
CID 144981959
ethyl N,N'-bis(prop-2-enyl)carbamimidothioate;hydroiodide
CID 173452158
3-ethenylimino-N-ethyl-2-methylpropan-1-amine
CID 118973312

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl N-ethenylethanimidothioate?
The IUPAC name of ethane;ethyl N-ethenylethanimidothioate (CID 143602053) is ethane;ethyl N-ethenylethanimidothioate.
What is the SMILES notation for ethane;ethyl N-ethenylethanimidothioate?
The canonical SMILES for ethane;ethyl N-ethenylethanimidothioate is C=C/N=C(\C)SCC.CC.
What is the InChIKey of ethane;ethyl N-ethenylethanimidothioate?
The InChIKey is VTKGXWJIPDCZRD-UHDJGPCESA-N. The full InChI is InChI=1S/C6H11NS.C2H6/c1-4-7-6(3)8-5-2;1-2/h4H,1,5H2,2-3H3;1-2H3/b7-6+;.
What are the key properties of ethane;ethyl N-ethenylethanimidothioate?
ethane;ethyl N-ethenylethanimidothioate has a molecular weight of 159.30 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl N-ethenylethanimidothioate is sourced from PubChem (CID 143602053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).