2-(1,2-benzothiazol-3-yliminomethyl)-6-methoxyphenol

C15H12N2O2S — CID 511723

IUPAC2-(1,2-benzothiazol-3-yliminomethyl)-6-methoxyphenol
SMILESCOc1cccc(/C=N/c2nsc3ccccc23)c1O
InChIInChI=1S/C15H12N2O2S/c1-19-12-7-4-5-10(14(12)18)9-16-15-11-6-2-3-8-13(11)20-17-15/h2-9,18H,1H3/b16-9+
InChIKeyVHVPTQFEHXIWHV-CXUHLZMHSA-N
MW284.34 g/mol
LogP3.76
Rot. Bonds3

About 2-(1,2-benzothiazol-3-yliminomethyl)-6-methoxyphenol

2-(1,2-benzothiazol-3-yliminomethyl)-6-methoxyphenol (PubChem CID 511723) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-(1,2-benzothiazol-3-yliminomethyl)-6-methoxyphenol.

Molecular Properties

Compound Name2-(1,2-benzothiazol-3-yliminomethyl)-6-methoxyphenol
PubChem CID511723
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name2-(1,2-benzothiazol-3-yliminomethyl)-6-methoxyphenol
SMILESCOc1cccc(/C=N/c2nsc3ccccc23)c1O
InChIInChI=1S/C15H12N2O2S/c1-19-12-7-4-5-10(14(12)18)9-16-15-11-6-2-3-8-13(11)20-17-15/h2-9,18H,1H3/b16-9+
InChIKeyVHVPTQFEHXIWHV-CXUHLZMHSA-N
XLogP3.76
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-(1,2-benzothiazol-3-yliminomethyl)-6-methoxyphenol?
The IUPAC name of 2-(1,2-benzothiazol-3-yliminomethyl)-6-methoxyphenol (CID 511723) is 2-(1,2-benzothiazol-3-yliminomethyl)-6-methoxyphenol.
What is the SMILES notation for 2-(1,2-benzothiazol-3-yliminomethyl)-6-methoxyphenol?
The canonical SMILES for 2-(1,2-benzothiazol-3-yliminomethyl)-6-methoxyphenol is COc1cccc(/C=N/c2nsc3ccccc23)c1O.
What is the InChIKey of 2-(1,2-benzothiazol-3-yliminomethyl)-6-methoxyphenol?
The InChIKey is VHVPTQFEHXIWHV-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-19-12-7-4-5-10(14(12)18)9-16-15-11-6-2-3-8-13(11)20-17-15/h2-9,18H,1H3/b16-9+.
What are the key properties of 2-(1,2-benzothiazol-3-yliminomethyl)-6-methoxyphenol?
2-(1,2-benzothiazol-3-yliminomethyl)-6-methoxyphenol has a molecular weight of 284.34 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzothiazol-3-yliminomethyl)-6-methoxyphenol is sourced from PubChem (CID 511723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).