5-methyl-3-(phenyliminomethyl)thiophen-2-ol

C12H11NOS — CID 778790

IUPAC5-methyl-3-(phenyliminomethyl)thiophen-2-ol
SMILESCc1cc(/C=N/c2ccccc2)c(O)s1
InChIInChI=1S/C12H11NOS/c1-9-7-10(12(14)15-9)8-13-11-5-3-2-4-6-11/h2-8,14H,1H3/b13-8+
InChIKeyBJJXNOIJVHRFST-MDWZMJQESA-N
MW217.29 g/mol
LogP3.51
Rot. Bonds2

About 5-methyl-3-(phenyliminomethyl)thiophen-2-ol

5-methyl-3-(phenyliminomethyl)thiophen-2-ol (PubChem CID 778790) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 5-methyl-3-(phenyliminomethyl)thiophen-2-ol.

Molecular Properties

Compound Name5-methyl-3-(phenyliminomethyl)thiophen-2-ol
PubChem CID778790
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name5-methyl-3-(phenyliminomethyl)thiophen-2-ol
SMILESCc1cc(/C=N/c2ccccc2)c(O)s1
InChIInChI=1S/C12H11NOS/c1-9-7-10(12(14)15-9)8-13-11-5-3-2-4-6-11/h2-8,14H,1H3/b13-8+
InChIKeyBJJXNOIJVHRFST-MDWZMJQESA-N
XLogP3.51
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-methyl-3-(phenyliminomethyl)thiophen-2-ol?
The IUPAC name of 5-methyl-3-(phenyliminomethyl)thiophen-2-ol (CID 778790) is 5-methyl-3-(phenyliminomethyl)thiophen-2-ol.
What is the SMILES notation for 5-methyl-3-(phenyliminomethyl)thiophen-2-ol?
The canonical SMILES for 5-methyl-3-(phenyliminomethyl)thiophen-2-ol is Cc1cc(/C=N/c2ccccc2)c(O)s1.
What is the InChIKey of 5-methyl-3-(phenyliminomethyl)thiophen-2-ol?
The InChIKey is BJJXNOIJVHRFST-MDWZMJQESA-N. The full InChI is InChI=1S/C12H11NOS/c1-9-7-10(12(14)15-9)8-13-11-5-3-2-4-6-11/h2-8,14H,1H3/b13-8+.
What are the key properties of 5-methyl-3-(phenyliminomethyl)thiophen-2-ol?
5-methyl-3-(phenyliminomethyl)thiophen-2-ol has a molecular weight of 217.29 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(phenyliminomethyl)thiophen-2-ol is sourced from PubChem (CID 778790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).