Home Nitros 2-Thiazolamine, 5-(4-nitrophenyl)-

2-Thiazolamine, 5-(4-nitrophenyl)-

CAS No.:
40353-58-0
Catalog Number:
AG01CCRX
Molecular Formula:
C9H7N3O2S
Molecular Weight:
221.2358
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Product Description
Catalog Number:
AG01CCRX
Chemical Name:
2-Thiazolamine, 5-(4-nitrophenyl)-
CAS Number:
40353-58-0
Molecular Formula:
C9H7N3O2S
Molecular Weight:
221.2358
MDL Number:
MFCD30293512
IUPAC Name:
5-(4-nitrophenyl)-1,3-thiazol-2-amine
InChI:
InChI=1S/C9H7N3O2S/c10-9-11-5-8(15-9)6-1-3-7(4-2-6)12(13)14/h1-5H,(H2,10,11)
InChI Key:
BJKVXIXSKUDRGN-UHFFFAOYSA-N
SMILES:
Nc1ncc(s1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.026g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.234g/mol
Monoisotopic Mass:
221.026g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties