N-(4-chlorophenyl)-1-thiophen-2-ylmethanimine oxide

C11H8ClNOS — CID 2382218

IUPACN-(4-chlorophenyl)-1-thiophen-2-ylmethanimine oxide
SMILES[O-]/[N+](=C\c1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C11H8ClNOS/c12-9-3-5-10(6-4-9)13(14)8-11-2-1-7-15-11/h1-8H/b13-8-
InChIKeyQUDLBMWNRBKHOO-JYRVWZFOSA-N
MW237.71 g/mol
LogP3.66
Rot. Bonds2

About N-(4-chlorophenyl)-1-thiophen-2-ylmethanimine oxide

N-(4-chlorophenyl)-1-thiophen-2-ylmethanimine oxide (PubChem CID 2382218) has the molecular formula C11H8ClNOS and a molecular weight of 237.71 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-thiophen-2-ylmethanimine oxide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-thiophen-2-ylmethanimine oxide
PubChem CID2382218
Molecular FormulaC11H8ClNOS
Molecular Weight237.71 g/mol
Exact Mass237.00
IUPAC NameN-(4-chlorophenyl)-1-thiophen-2-ylmethanimine oxide
SMILES[O-]/[N+](=C\c1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C11H8ClNOS/c12-9-3-5-10(6-4-9)13(14)8-11-2-1-7-15-11/h1-8H/b13-8-
InChIKeyQUDLBMWNRBKHOO-JYRVWZFOSA-N
XLogP3.66
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.71
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-thiophen-2-ylmethanimine oxide?
The IUPAC name of N-(4-chlorophenyl)-1-thiophen-2-ylmethanimine oxide (CID 2382218) is N-(4-chlorophenyl)-1-thiophen-2-ylmethanimine oxide.
What is the SMILES notation for N-(4-chlorophenyl)-1-thiophen-2-ylmethanimine oxide?
The canonical SMILES for N-(4-chlorophenyl)-1-thiophen-2-ylmethanimine oxide is [O-]/[N+](=C\c1cccs1)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-1-thiophen-2-ylmethanimine oxide?
The InChIKey is QUDLBMWNRBKHOO-JYRVWZFOSA-N. The full InChI is InChI=1S/C11H8ClNOS/c12-9-3-5-10(6-4-9)13(14)8-11-2-1-7-15-11/h1-8H/b13-8-.
What are the key properties of N-(4-chlorophenyl)-1-thiophen-2-ylmethanimine oxide?
N-(4-chlorophenyl)-1-thiophen-2-ylmethanimine oxide has a molecular weight of 237.71 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-thiophen-2-ylmethanimine oxide is sourced from PubChem (CID 2382218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).