[(Z)-prop-1-enyl] N-[(Z)-but-2-en-2-yl]ethanimidothioate

C9H15NS — CID 138539262

IUPAC[(Z)-prop-1-enyl] N-[(Z)-but-2-en-2-yl]ethanimidothioate
SMILESC/C=C\S/C(C)=N/C(C)=C\C
InChIInChI=1S/C9H15NS/c1-5-7-11-9(4)10-8(3)6-2/h5-7H,1-4H3/b7-5-,8-6-,10-9+
InChIKeyPIXJFXNDLOVVOG-LODOGNSSSA-N
MW169.29 g/mol
LogP3.60
Rot. Bonds2

About [(Z)-prop-1-enyl] N-[(Z)-but-2-en-2-yl]ethanimidothioate

[(Z)-prop-1-enyl] N-[(Z)-but-2-en-2-yl]ethanimidothioate (PubChem CID 138539262) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is [(Z)-prop-1-enyl] N-[(Z)-but-2-en-2-yl]ethanimidothioate.

Molecular Properties

Compound Name[(Z)-prop-1-enyl] N-[(Z)-but-2-en-2-yl]ethanimidothioate
PubChem CID138539262
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name[(Z)-prop-1-enyl] N-[(Z)-but-2-en-2-yl]ethanimidothioate
SMILESC/C=C\S/C(C)=N/C(C)=C\C
InChIInChI=1S/C9H15NS/c1-5-7-11-9(4)10-8(3)6-2/h5-7H,1-4H3/b7-5-,8-6-,10-9+
InChIKeyPIXJFXNDLOVVOG-LODOGNSSSA-N
XLogP3.60
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 ≤ 53.60
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 [(Z)-prop-1-enyl] N-[(Z)-but-2-en-2-yl]ethanimidothioate 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 [(Z)-prop-1-enyl] N-[(Z)-but-2-en-2-yl]ethanimidothioate?
The IUPAC name of [(Z)-prop-1-enyl] N-[(Z)-but-2-en-2-yl]ethanimidothioate (CID 138539262) is [(Z)-prop-1-enyl] N-[(Z)-but-2-en-2-yl]ethanimidothioate.
What is the SMILES notation for [(Z)-prop-1-enyl] N-[(Z)-but-2-en-2-yl]ethanimidothioate?
The canonical SMILES for [(Z)-prop-1-enyl] N-[(Z)-but-2-en-2-yl]ethanimidothioate is C/C=C\S/C(C)=N/C(C)=C\C.
What is the InChIKey of [(Z)-prop-1-enyl] N-[(Z)-but-2-en-2-yl]ethanimidothioate?
The InChIKey is PIXJFXNDLOVVOG-LODOGNSSSA-N. The full InChI is InChI=1S/C9H15NS/c1-5-7-11-9(4)10-8(3)6-2/h5-7H,1-4H3/b7-5-,8-6-,10-9+.
What are the key properties of [(Z)-prop-1-enyl] N-[(Z)-but-2-en-2-yl]ethanimidothioate?
[(Z)-prop-1-enyl] N-[(Z)-but-2-en-2-yl]ethanimidothioate has a molecular weight of 169.29 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-prop-1-enyl] N-[(Z)-but-2-en-2-yl]ethanimidothioate is sourced from PubChem (CID 138539262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).