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25752-18-5

25752-18-5 | 6-phenylimidazo[2,1-b][1,3,4]thiadiazole

CAS No: 25752-18-5 Catalog No: AG01B4XD MDL No:MFCD00193132

Product Description

Catalog Number:
AG01B4XD
Chemical Name:
6-phenylimidazo[2,1-b][1,3,4]thiadiazole
CAS Number:
25752-18-5
Molecular Formula:
C10H7N3S
Molecular Weight:
201.2477
MDL Number:
MFCD00193132
IUPAC Name:
6-phenylimidazo[2,1-b][1,3,4]thiadiazole
InChI:
InChI=1S/C10H7N3S/c1-2-4-8(5-3-1)9-6-13-10(12-9)14-7-11-13/h1-7H
InChI Key:
GFPSTSCYNCOYTN-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1cn2c(n1)scn2

Properties

Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.036g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.247g/mol
Monoisotopic Mass:
201.036g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Literature

Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101

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