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140-40-9 | Nithiamide
CAS No: 140-40-9 Catalog No: AG003B5W MDL No:MFCD00022438
Product Description
Catalog Number:
AG003B5W
Chemical Name:
Nithiamide
CAS Number:
140-40-9
Molecular Formula:
C5H5N3O3S
Molecular Weight:
187.1765
MDL Number:
MFCD00022438
IUPAC Name:
N-(5-nitro-1,3-thiazol-2-yl)acetamide
InChI:
InChI=1S/C5H5N3O3S/c1-3(9)7-5-6-2-4(12-5)8(10)11/h2H,1H3,(H,6,7,9)
InChI Key:
UJRRDDHEMZLWFI-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ncc(s1)[N+](=O)[O-]
EC Number:
205-414-7
UNII:
9CBM60191Z
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.005g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.173g/mol
Monoisotopic Mass:
187.005g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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