ethenyl N-ethenyl-2,2-dimethylpropanimidothioate

C9H15NS — CID 130469876

IUPACethenyl N-ethenyl-2,2-dimethylpropanimidothioate
SMILESC=C/N=C(\SC=C)C(C)(C)C
InChIInChI=1S/C9H15NS/c1-6-10-8(11-7-2)9(3,4)5/h6-7H,1-2H2,3-5H3/b10-8-
InChIKeyWNAPKPOGUJIPTB-NTMALXAHSA-N
MW169.29 g/mol
LogP3.45
Rot. Bonds2

About ethenyl N-ethenyl-2,2-dimethylpropanimidothioate

ethenyl N-ethenyl-2,2-dimethylpropanimidothioate (PubChem CID 130469876) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is ethenyl N-ethenyl-2,2-dimethylpropanimidothioate.

Molecular Properties

Compound Nameethenyl N-ethenyl-2,2-dimethylpropanimidothioate
PubChem CID130469876
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Nameethenyl N-ethenyl-2,2-dimethylpropanimidothioate
SMILESC=C/N=C(\SC=C)C(C)(C)C
InChIInChI=1S/C9H15NS/c1-6-10-8(11-7-2)9(3,4)5/h6-7H,1-2H2,3-5H3/b10-8-
InChIKeyWNAPKPOGUJIPTB-NTMALXAHSA-N
XLogP3.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 53.45
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'}

Analyze ethenyl N-ethenyl-2,2-dimethylpropanimidothioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethenyl N-ethenyl-2,2-dimethylpropanimidothioate?
The IUPAC name of ethenyl N-ethenyl-2,2-dimethylpropanimidothioate (CID 130469876) is ethenyl N-ethenyl-2,2-dimethylpropanimidothioate.
What is the SMILES notation for ethenyl N-ethenyl-2,2-dimethylpropanimidothioate?
The canonical SMILES for ethenyl N-ethenyl-2,2-dimethylpropanimidothioate is C=C/N=C(\SC=C)C(C)(C)C.
What is the InChIKey of ethenyl N-ethenyl-2,2-dimethylpropanimidothioate?
The InChIKey is WNAPKPOGUJIPTB-NTMALXAHSA-N. The full InChI is InChI=1S/C9H15NS/c1-6-10-8(11-7-2)9(3,4)5/h6-7H,1-2H2,3-5H3/b10-8-.
What are the key properties of ethenyl N-ethenyl-2,2-dimethylpropanimidothioate?
ethenyl N-ethenyl-2,2-dimethylpropanimidothioate has a molecular weight of 169.29 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl N-ethenyl-2,2-dimethylpropanimidothioate is sourced from PubChem (CID 130469876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).