5-(methylideneamino)-1-benzothiophen-7-ol

C9H7NOS — CID 142185047

IUPAC5-(methylideneamino)-1-benzothiophen-7-ol
SMILESC=Nc1cc(O)c2sccc2c1
InChIInChI=1S/C9H7NOS/c1-10-7-4-6-2-3-12-9(6)8(11)5-7/h2-5,11H,1H2
InChIKeyQZPSZAGSFICXCW-UHFFFAOYSA-N
MW177.23 g/mol
LogP2.94
Rot. Bonds1

About 5-(methylideneamino)-1-benzothiophen-7-ol

5-(methylideneamino)-1-benzothiophen-7-ol (PubChem CID 142185047) has the molecular formula C9H7NOS and a molecular weight of 177.23 g/mol. Its IUPAC name is 5-(methylideneamino)-1-benzothiophen-7-ol.

Molecular Properties

Compound Name5-(methylideneamino)-1-benzothiophen-7-ol
PubChem CID142185047
Molecular FormulaC9H7NOS
Molecular Weight177.23 g/mol
Exact Mass177.02
IUPAC Name5-(methylideneamino)-1-benzothiophen-7-ol
SMILESC=Nc1cc(O)c2sccc2c1
InChIInChI=1S/C9H7NOS/c1-10-7-4-6-2-3-12-9(6)8(11)5-7/h2-5,11H,1H2
InChIKeyQZPSZAGSFICXCW-UHFFFAOYSA-N
XLogP2.94
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 52.94
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-(methylideneamino)-1-benzothiophen-7-ol?
The IUPAC name of 5-(methylideneamino)-1-benzothiophen-7-ol (CID 142185047) is 5-(methylideneamino)-1-benzothiophen-7-ol.
What is the SMILES notation for 5-(methylideneamino)-1-benzothiophen-7-ol?
The canonical SMILES for 5-(methylideneamino)-1-benzothiophen-7-ol is C=Nc1cc(O)c2sccc2c1.
What is the InChIKey of 5-(methylideneamino)-1-benzothiophen-7-ol?
The InChIKey is QZPSZAGSFICXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NOS/c1-10-7-4-6-2-3-12-9(6)8(11)5-7/h2-5,11H,1H2.
What are the key properties of 5-(methylideneamino)-1-benzothiophen-7-ol?
5-(methylideneamino)-1-benzothiophen-7-ol has a molecular weight of 177.23 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylideneamino)-1-benzothiophen-7-ol is sourced from PubChem (CID 142185047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).