N'-(3-hydroxybenzylidene)-1-benzothiophene-3-carbohydrazide

Update Time: 2025-04-25 16:57:08

	Common Name	N'-(3-hydroxybenzylidene)-1-benzothiophene-3-carbohydrazide	English Name	N'-(3-hydroxybenzylidene)-1-benzothiophene-3-carbohydrazide
	CAS NO.	N/A	Molecular Weight	296.3
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₁₆H₁₂N₂O₂S	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	N'-(3-hydroxybenzylidene)-1-benzothiophene-3-carbohydrazide

Molecular Formula	C16H12N2O2S
Molecular Weight	296.3
Exact Mass	296.06194880
LogP	3.50
Standard SMILES	O=C(NN=Cc1cccc(O)c1)c1csc2ccccc12
Canonical SMILES	C1=CC=C2C(=C1)C(=CS2)C(=O)NN=CC3=CC(=CC=C3)O
Isomeric SMILES	C1=CC=C2C(=C1)C(=CS2)C(=O)N/N=C/C3=CC(=CC=C3)O
Standard InChI Identifier	InChI=1S/C16H12N2O2S/c19-12-5-3-4-11(8-12)9-17-18-16(20)14-10-21-15-7-2-1-6-13(14)15/h1-10,19H,(H,18,20)/b17-9+
Standard InChI Key	TVTKCKQIKRKXHQ-RQZCQDPDSA-N
Compound Complexity	402.00
computational chemistry	Hydrogen Bond Acceptor Count：4 Hydrogen Bond Donor Count：2 Rotatable Bond Count：3 Heavy Atom Count：21 Total Chiral Atom Count：0 Defined Chiral Atom Count：0 Undefined Chiral Atom Count：0 Total Chiral Bond Count：1 Defined Chiral Bond Count：1 Undefined Chiral Bond Count：0 Isotope Atom Count：0 Covalent Unit Count：1 Tautomer Count：13 Monoisotopic Mass：296.06194880