ethane;methyl N-ethenylpropanimidothioate

C8H17NS — CID 143693013

IUPACethane;methyl N-ethenylpropanimidothioate
SMILESC=C/N=C(\CC)SC.CC
InChIInChI=1S/C6H11NS.C2H6/c1-4-6(8-3)7-5-2;1-2/h5H,2,4H2,1,3H3;1-2H3/b7-6+;
InChIKeyGPOQARIRJZPXDR-UHDJGPCESA-N
MW159.30 g/mol
LogP3.33
Rot. Bonds2

About ethane;methyl N-ethenylpropanimidothioate

ethane;methyl N-ethenylpropanimidothioate (PubChem CID 143693013) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is ethane;methyl N-ethenylpropanimidothioate.

Molecular Properties

Compound Nameethane;methyl N-ethenylpropanimidothioate
PubChem CID143693013
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Nameethane;methyl N-ethenylpropanimidothioate
SMILESC=C/N=C(\CC)SC.CC
InChIInChI=1S/C6H11NS.C2H6/c1-4-6(8-3)7-5-2;1-2/h5H,2,4H2,1,3H3;1-2H3/b7-6+;
InChIKeyGPOQARIRJZPXDR-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

methyl N-ethenylethanimidothioate
CID 88273374
methyl N-ethenylpropanimidothioate
CID 123143732
ethenyl N-ethenyl-2-methylpropanimidothioate
CID 123500897
methyl N-ethenyl-2-methylbutanimidothioate
CID 123808234
methyl N-ethenyl-2,2-dimethylpropanimidothioate
CID 123916407
2-Butyl-1,1-dimethyl-1,3-thiazole
CID 130224807
ethenyl N-ethenyl-2,2-dimethylpropanimidothioate
CID 130469876
ethenyl N-ethenylpropanimidothioate
CID 134340395
methyl N-ethenyl-2-methylpropanimidothioate
CID 138501837
ethane;methyl N-ethenylethanimidothioate
CID 142064441
ethane;ethyl N-ethenylethanimidothioate
CID 143602053
ethane;methyl N-ethenylethanimidothioate
CID 143711281

Frequently Asked Questions

What is the IUPAC name of ethane;methyl N-ethenylpropanimidothioate?
The IUPAC name of ethane;methyl N-ethenylpropanimidothioate (CID 143693013) is ethane;methyl N-ethenylpropanimidothioate.
What is the SMILES notation for ethane;methyl N-ethenylpropanimidothioate?
The canonical SMILES for ethane;methyl N-ethenylpropanimidothioate is C=C/N=C(\CC)SC.CC.
What is the InChIKey of ethane;methyl N-ethenylpropanimidothioate?
The InChIKey is GPOQARIRJZPXDR-UHDJGPCESA-N. The full InChI is InChI=1S/C6H11NS.C2H6/c1-4-6(8-3)7-5-2;1-2/h5H,2,4H2,1,3H3;1-2H3/b7-6+;.
What are the key properties of ethane;methyl N-ethenylpropanimidothioate?
ethane;methyl N-ethenylpropanimidothioate 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;methyl N-ethenylpropanimidothioate is sourced from PubChem (CID 143693013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).