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1137-65-1

1137-65-1 | 4-Isothiazolecarbonitrile, 2,3-dihydro-3-oxo-5-(phenylamino)-

CAS No: 1137-65-1 Catalog No: AG0009DZ MDL No:

Product Description

Catalog Number:
AG0009DZ
Chemical Name:
4-Isothiazolecarbonitrile, 2,3-dihydro-3-oxo-5-(phenylamino)-
CAS Number:
1137-65-1
Molecular Formula:
C10H7N3OS
Molecular Weight:
217.2471
IUPAC Name:
5-anilino-3-oxo-1,2-thiazole-4-carbonitrile
InChI:
InChI=1S/C10H7N3OS/c11-6-8-9(14)13-15-10(8)12-7-4-2-1-3-5-7/h1-5,12H,(H,13,14)
InChI Key:
GHXPCAXQBVCFNU-UHFFFAOYSA-N
SMILES:
N#Cc1c(s[nH]c1=O)Nc1ccccc1

Properties

Complexity:
349  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.031g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
217.246g/mol
Monoisotopic Mass:
217.031g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

Literature

Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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