[3,4,5-tris[(Z)-prop-1-enyl]thiophen-2-yl]methanimine

C14H17NS — CID 138507495

IUPAC[3,4,5-tris[(Z)-prop-1-enyl]thiophen-2-yl]methanimine
SMILES[H]/N=C/c1sc(/C=C\C)c(/C=C\C)c1/C=C\C
InChIInChI=1S/C14H17NS/c1-4-7-11-12(8-5-2)14(10-15)16-13(11)9-6-3/h4-10,15H,1-3H3/b7-4-,8-5-,9-6-,15-10+
InChIKeyPWVHSMFACYSBIG-PCGKDZKSSA-N
MW231.36 g/mol
LogP4.85
Rot. Bonds4

About [3,4,5-tris[(Z)-prop-1-enyl]thiophen-2-yl]methanimine

[3,4,5-tris[(Z)-prop-1-enyl]thiophen-2-yl]methanimine (PubChem CID 138507495) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is [3,4,5-tris[(Z)-prop-1-enyl]thiophen-2-yl]methanimine.

Molecular Properties

Compound Name[3,4,5-tris[(Z)-prop-1-enyl]thiophen-2-yl]methanimine
PubChem CID138507495
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name[3,4,5-tris[(Z)-prop-1-enyl]thiophen-2-yl]methanimine
SMILES[H]/N=C/c1sc(/C=C\C)c(/C=C\C)c1/C=C\C
InChIInChI=1S/C14H17NS/c1-4-7-11-12(8-5-2)14(10-15)16-13(11)9-6-3/h4-10,15H,1-3H3/b7-4-,8-5-,9-6-,15-10+
InChIKeyPWVHSMFACYSBIG-PCGKDZKSSA-N
XLogP4.85
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [3,4,5-tris[(Z)-prop-1-enyl]thiophen-2-yl]methanimine 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 [3,4,5-tris[(Z)-prop-1-enyl]thiophen-2-yl]methanimine?
The IUPAC name of [3,4,5-tris[(Z)-prop-1-enyl]thiophen-2-yl]methanimine (CID 138507495) is [3,4,5-tris[(Z)-prop-1-enyl]thiophen-2-yl]methanimine.
What is the SMILES notation for [3,4,5-tris[(Z)-prop-1-enyl]thiophen-2-yl]methanimine?
The canonical SMILES for [3,4,5-tris[(Z)-prop-1-enyl]thiophen-2-yl]methanimine is [H]/N=C/c1sc(/C=C\C)c(/C=C\C)c1/C=C\C.
What is the InChIKey of [3,4,5-tris[(Z)-prop-1-enyl]thiophen-2-yl]methanimine?
The InChIKey is PWVHSMFACYSBIG-PCGKDZKSSA-N. The full InChI is InChI=1S/C14H17NS/c1-4-7-11-12(8-5-2)14(10-15)16-13(11)9-6-3/h4-10,15H,1-3H3/b7-4-,8-5-,9-6-,15-10+.
What are the key properties of [3,4,5-tris[(Z)-prop-1-enyl]thiophen-2-yl]methanimine?
[3,4,5-tris[(Z)-prop-1-enyl]thiophen-2-yl]methanimine has a molecular weight of 231.36 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4,5-tris[(Z)-prop-1-enyl]thiophen-2-yl]methanimine is sourced from PubChem (CID 138507495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).