1-phenyl-N-(thiophen-2-ylmethyl)methanimine

C12H11NS — CID 13484482

IUPAC1-phenyl-N-(thiophen-2-ylmethyl)methanimine
SMILESC(=N/Cc1cccs1)\c1ccccc1
InChIInChI=1S/C12H11NS/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12/h1-9H,10H2/b13-9+
InChIKeyVCBZTKUAPKFYBU-UKTHLTGXSA-N
MW201.29 g/mol
LogP3.37
Rot. Bonds3

About 1-phenyl-N-(thiophen-2-ylmethyl)methanimine

1-phenyl-N-(thiophen-2-ylmethyl)methanimine (PubChem CID 13484482) has the molecular formula C12H11NS and a molecular weight of 201.29 g/mol. Its IUPAC name is 1-phenyl-N-(thiophen-2-ylmethyl)methanimine.

Molecular Properties

Compound Name1-phenyl-N-(thiophen-2-ylmethyl)methanimine
PubChem CID13484482
Molecular FormulaC12H11NS
Molecular Weight201.29 g/mol
Exact Mass201.06
IUPAC Name1-phenyl-N-(thiophen-2-ylmethyl)methanimine
SMILESC(=N/Cc1cccs1)\c1ccccc1
InChIInChI=1S/C12H11NS/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12/h1-9H,10H2/b13-9+
InChIKeyVCBZTKUAPKFYBU-UKTHLTGXSA-N
XLogP3.37
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(thiophen-2-ylmethyl)methanimine?
The IUPAC name of 1-phenyl-N-(thiophen-2-ylmethyl)methanimine (CID 13484482) is 1-phenyl-N-(thiophen-2-ylmethyl)methanimine.
What is the SMILES notation for 1-phenyl-N-(thiophen-2-ylmethyl)methanimine?
The canonical SMILES for 1-phenyl-N-(thiophen-2-ylmethyl)methanimine is C(=N/Cc1cccs1)\c1ccccc1.
What is the InChIKey of 1-phenyl-N-(thiophen-2-ylmethyl)methanimine?
The InChIKey is VCBZTKUAPKFYBU-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H11NS/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12/h1-9H,10H2/b13-9+.
What are the key properties of 1-phenyl-N-(thiophen-2-ylmethyl)methanimine?
1-phenyl-N-(thiophen-2-ylmethyl)methanimine has a molecular weight of 201.29 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(thiophen-2-ylmethyl)methanimine is sourced from PubChem (CID 13484482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).