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89408-03-7

89408-03-7 | Ethanone,1-(2-thienyl)-, 2-(2-thiazolyl)hydrazone

CAS No: 89408-03-7 Catalog No: AG003VQS MDL No:

Product Description

Catalog Number:
AG003VQS
Chemical Name:
Ethanone,1-(2-thienyl)-, 2-(2-thiazolyl)hydrazone
CAS Number:
89408-03-7
Molecular Formula:
C9H9N3S2
Molecular Weight:
223.3179
IUPAC Name:
N-(1-thiophen-2-ylethylideneamino)-1,3-thiazol-2-amine
InChI:
InChI=1S/C9H9N3S2/c1-7(8-3-2-5-13-8)11-12-9-10-4-6-14-9/h2-6H,1H3,(H,10,12)
InChI Key:
APEZWOQOUDEMPU-UHFFFAOYSA-N
SMILES:
CC(=NNc1nccs1)c1cccs1

Properties

Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.024g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.312g/mol
Monoisotopic Mass:
223.024g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
3.1  

Literature

Title Journal
Rapid detection and characterization of minor reactive metabolites using stable-isotope trapping in combination with tandem mass spectrometry. Rapid communications in mass spectrometry : RCM 20050101

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