ethane;ethenyl N-methylpropanimidothioate

C8H17NS — CID 178087022

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

About ethane;ethenyl N-methylpropanimidothioate

ethane;ethenyl N-methylpropanimidothioate (PubChem CID 178087022) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is ethane;ethenyl N-methylpropanimidothioate.

Molecular Properties

Compound Nameethane;ethenyl N-methylpropanimidothioate
PubChem CID178087022
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Nameethane;ethenyl N-methylpropanimidothioate
SMILESC=CS/C(CC)=N/C.CC
InChIInChI=1S/C6H11NS.C2H6/c1-4-6(7-3)8-5-2;1-2/h5H,2,4H2,1,3H3;1-2H3/b7-6+;
InChIKeyLYLONPXCIHTRIM-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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Frequently Asked Questions

What is the IUPAC name of ethane;ethenyl N-methylpropanimidothioate?
The IUPAC name of ethane;ethenyl N-methylpropanimidothioate (CID 178087022) is ethane;ethenyl N-methylpropanimidothioate.
What is the SMILES notation for ethane;ethenyl N-methylpropanimidothioate?
The canonical SMILES for ethane;ethenyl N-methylpropanimidothioate is C=CS/C(CC)=N/C.CC.
What is the InChIKey of ethane;ethenyl N-methylpropanimidothioate?
The InChIKey is LYLONPXCIHTRIM-UHDJGPCESA-N. The full InChI is InChI=1S/C6H11NS.C2H6/c1-4-6(7-3)8-5-2;1-2/h5H,2,4H2,1,3H3;1-2H3/b7-6+;.
What are the key properties of ethane;ethenyl N-methylpropanimidothioate?
ethane;ethenyl N-methylpropanimidothioate 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;ethenyl N-methylpropanimidothioate is sourced from PubChem (CID 178087022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).