2-(phenyliminomethyl)-1-benzothiophen-3-ol

C15H11NOS — CID 2858319

IUPAC2-(phenyliminomethyl)-1-benzothiophen-3-ol
SMILESOc1c(/C=N/c2ccccc2)sc2ccccc12
InChIInChI=1S/C15H11NOS/c17-15-12-8-4-5-9-13(12)18-14(15)10-16-11-6-2-1-3-7-11/h1-10,17H/b16-10+
InChIKeyAWQIPAZJJFCVDW-MHWRWJLKSA-N
MW253.33 g/mol
LogP4.36
Rot. Bonds2

About 2-(phenyliminomethyl)-1-benzothiophen-3-ol

2-(phenyliminomethyl)-1-benzothiophen-3-ol (PubChem CID 2858319) has the molecular formula C15H11NOS and a molecular weight of 253.33 g/mol. Its IUPAC name is 2-(phenyliminomethyl)-1-benzothiophen-3-ol.

Molecular Properties

Compound Name2-(phenyliminomethyl)-1-benzothiophen-3-ol
PubChem CID2858319
Molecular FormulaC15H11NOS
Molecular Weight253.33 g/mol
Exact Mass253.06
IUPAC Name2-(phenyliminomethyl)-1-benzothiophen-3-ol
SMILESOc1c(/C=N/c2ccccc2)sc2ccccc12
InChIInChI=1S/C15H11NOS/c17-15-12-8-4-5-9-13(12)18-14(15)10-16-11-6-2-1-3-7-11/h1-10,17H/b16-10+
InChIKeyAWQIPAZJJFCVDW-MHWRWJLKSA-N
XLogP4.36
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(phenyliminomethyl)-1-benzothiophen-3-ol?
The IUPAC name of 2-(phenyliminomethyl)-1-benzothiophen-3-ol (CID 2858319) is 2-(phenyliminomethyl)-1-benzothiophen-3-ol.
What is the SMILES notation for 2-(phenyliminomethyl)-1-benzothiophen-3-ol?
The canonical SMILES for 2-(phenyliminomethyl)-1-benzothiophen-3-ol is Oc1c(/C=N/c2ccccc2)sc2ccccc12.
What is the InChIKey of 2-(phenyliminomethyl)-1-benzothiophen-3-ol?
The InChIKey is AWQIPAZJJFCVDW-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H11NOS/c17-15-12-8-4-5-9-13(12)18-14(15)10-16-11-6-2-1-3-7-11/h1-10,17H/b16-10+.
What are the key properties of 2-(phenyliminomethyl)-1-benzothiophen-3-ol?
2-(phenyliminomethyl)-1-benzothiophen-3-ol has a molecular weight of 253.33 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenyliminomethyl)-1-benzothiophen-3-ol is sourced from PubChem (CID 2858319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).