1-phenyl-N-thiophen-2-ylmethanimine

C11H9NS — CID 163586677

IUPAC1-phenyl-N-thiophen-2-ylmethanimine
SMILESC(=Nc1cccs1)c1ccccc1
InChIInChI=1S/C11H9NS/c1-2-5-10(6-3-1)9-12-11-7-4-8-13-11/h1-9H
InChIKeyGMBGQJAWHLDDSQ-UHFFFAOYSA-N
MW187.27 g/mol
LogP3.50
Rot. Bonds2

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

1-phenyl-N-thiophen-2-ylmethanimine (PubChem CID 163586677) has the molecular formula C11H9NS and a molecular weight of 187.27 g/mol. Its IUPAC name is 1-phenyl-N-thiophen-2-ylmethanimine.

Molecular Properties

Compound Name1-phenyl-N-thiophen-2-ylmethanimine
PubChem CID163586677
Molecular FormulaC11H9NS
Molecular Weight187.27 g/mol
Exact Mass187.05
IUPAC Name1-phenyl-N-thiophen-2-ylmethanimine
SMILESC(=Nc1cccs1)c1ccccc1
InChIInChI=1S/C11H9NS/c1-2-5-10(6-3-1)9-12-11-7-4-8-13-11/h1-9H
InChIKeyGMBGQJAWHLDDSQ-UHFFFAOYSA-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 1-phenyl-N-thiophen-2-ylmethanimine?
The IUPAC name of 1-phenyl-N-thiophen-2-ylmethanimine (CID 163586677) is 1-phenyl-N-thiophen-2-ylmethanimine.
What is the SMILES notation for 1-phenyl-N-thiophen-2-ylmethanimine?
The canonical SMILES for 1-phenyl-N-thiophen-2-ylmethanimine is C(=Nc1cccs1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-thiophen-2-ylmethanimine?
The InChIKey is GMBGQJAWHLDDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NS/c1-2-5-10(6-3-1)9-12-11-7-4-8-13-11/h1-9H.
What are the key properties of 1-phenyl-N-thiophen-2-ylmethanimine?
1-phenyl-N-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 1-phenyl-N-thiophen-2-ylmethanimine is sourced from PubChem (CID 163586677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).