N-phenyl-1-thiophen-2-ylmethanimine

C11H9NS — CID 961554

IUPACN-phenyl-1-thiophen-2-ylmethanimine
SMILESC(=N/c1ccccc1)\c1cccs1
InChIInChI=1S/C11H9NS/c1-2-5-10(6-3-1)12-9-11-7-4-8-13-11/h1-9H/b12-9+
InChIKeyNLHBEOFSSBIRFO-FMIVXFBMSA-N
MW187.27 g/mol
LogP3.50
Rot. Bonds2

About N-phenyl-1-thiophen-2-ylmethanimine

N-phenyl-1-thiophen-2-ylmethanimine (PubChem CID 961554) has the molecular formula C11H9NS and a molecular weight of 187.27 g/mol. Its IUPAC name is N-phenyl-1-thiophen-2-ylmethanimine.

Molecular Properties

Compound NameN-phenyl-1-thiophen-2-ylmethanimine
PubChem CID961554
Molecular FormulaC11H9NS
Molecular Weight187.27 g/mol
Exact Mass187.05
IUPAC NameN-phenyl-1-thiophen-2-ylmethanimine
SMILESC(=N/c1ccccc1)\c1cccs1
InChIInChI=1S/C11H9NS/c1-2-5-10(6-3-1)12-9-11-7-4-8-13-11/h1-9H/b12-9+
InChIKeyNLHBEOFSSBIRFO-FMIVXFBMSA-N
XLogP3.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 53.50
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 N-phenyl-1-thiophen-2-ylmethanimine?
The IUPAC name of N-phenyl-1-thiophen-2-ylmethanimine (CID 961554) is N-phenyl-1-thiophen-2-ylmethanimine.
What is the SMILES notation for N-phenyl-1-thiophen-2-ylmethanimine?
The canonical SMILES for N-phenyl-1-thiophen-2-ylmethanimine is C(=N/c1ccccc1)\c1cccs1.
What is the InChIKey of N-phenyl-1-thiophen-2-ylmethanimine?
The InChIKey is NLHBEOFSSBIRFO-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H9NS/c1-2-5-10(6-3-1)12-9-11-7-4-8-13-11/h1-9H/b12-9+.
What are the key properties of N-phenyl-1-thiophen-2-ylmethanimine?
N-phenyl-1-thiophen-2-ylmethanimine has a molecular weight of 187.27 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-thiophen-2-ylmethanimine is sourced from PubChem (CID 961554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).