4-methyl-2,6-bis(thiophen-2-ylmethyliminomethyl)phenol

C19H18N2OS2 — CID 136683291

IUPAC4-methyl-2,6-bis(thiophen-2-ylmethyliminomethyl)phenol
SMILESCc1cc(/C=N/Cc2cccs2)c(O)c(/C=N/Cc2cccs2)c1
InChIInChI=1S/C19H18N2OS2/c1-14-8-15(10-20-12-17-4-2-6-23-17)19(22)16(9-14)11-21-13-18-5-3-7-24-18/h2-11,22H,12-13H2,1H3/b20-10+,21-11+
InChIKeyJRJUXVREAZHQQA-CLVAPQHMSA-N
MW354.50 g/mol
LogP5.06
Rot. Bonds6

About 4-methyl-2,6-bis(thiophen-2-ylmethyliminomethyl)phenol

4-methyl-2,6-bis(thiophen-2-ylmethyliminomethyl)phenol (PubChem CID 136683291) has the molecular formula C19H18N2OS2 and a molecular weight of 354.50 g/mol. Its IUPAC name is 4-methyl-2,6-bis(thiophen-2-ylmethyliminomethyl)phenol.

Molecular Properties

Compound Name4-methyl-2,6-bis(thiophen-2-ylmethyliminomethyl)phenol
PubChem CID136683291
Molecular FormulaC19H18N2OS2
Molecular Weight354.50 g/mol
Exact Mass354.09
IUPAC Name4-methyl-2,6-bis(thiophen-2-ylmethyliminomethyl)phenol
SMILESCc1cc(/C=N/Cc2cccs2)c(O)c(/C=N/Cc2cccs2)c1
InChIInChI=1S/C19H18N2OS2/c1-14-8-15(10-20-12-17-4-2-6-23-17)19(22)16(9-14)11-21-13-18-5-3-7-24-18/h2-11,22H,12-13H2,1H3/b20-10+,21-11+
InChIKeyJRJUXVREAZHQQA-CLVAPQHMSA-N
XLogP5.06
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.50
LogP ≤ 55.06
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 4-methyl-2,6-bis(thiophen-2-ylmethyliminomethyl)phenol?
The IUPAC name of 4-methyl-2,6-bis(thiophen-2-ylmethyliminomethyl)phenol (CID 136683291) is 4-methyl-2,6-bis(thiophen-2-ylmethyliminomethyl)phenol.
What is the SMILES notation for 4-methyl-2,6-bis(thiophen-2-ylmethyliminomethyl)phenol?
The canonical SMILES for 4-methyl-2,6-bis(thiophen-2-ylmethyliminomethyl)phenol is Cc1cc(/C=N/Cc2cccs2)c(O)c(/C=N/Cc2cccs2)c1.
What is the InChIKey of 4-methyl-2,6-bis(thiophen-2-ylmethyliminomethyl)phenol?
The InChIKey is JRJUXVREAZHQQA-CLVAPQHMSA-N. The full InChI is InChI=1S/C19H18N2OS2/c1-14-8-15(10-20-12-17-4-2-6-23-17)19(22)16(9-14)11-21-13-18-5-3-7-24-18/h2-11,22H,12-13H2,1H3/b20-10+,21-11+.
What are the key properties of 4-methyl-2,6-bis(thiophen-2-ylmethyliminomethyl)phenol?
4-methyl-2,6-bis(thiophen-2-ylmethyliminomethyl)phenol has a molecular weight of 354.50 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,6-bis(thiophen-2-ylmethyliminomethyl)phenol is sourced from PubChem (CID 136683291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).