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114354-20-0 | Ethanediamide, N1-2-benzothiazolyl-
CAS No: 114354-20-0 Catalog No: AG000B4T MDL No:
Product Description
Catalog Number:
AG000B4T
Chemical Name:
Ethanediamide, N1-2-benzothiazolyl-
CAS Number:
114354-20-0
Molecular Formula:
C9H7N3O2S
Molecular Weight:
221.2358
IUPAC Name:
N'-(1,3-benzothiazol-2-yl)oxamide
InChI:
InChI=1S/C9H7N3O2S/c10-7(13)8(14)12-9-11-5-3-1-2-4-6(5)15-9/h1-4H,(H2,10,13)(H,11,12,14)
InChI Key:
VQDHCBNTGMHIRX-UHFFFAOYSA-N
SMILES:
NC(=O)C(=O)Nc1nc2c(s1)cccc2
Properties
Complexity:
285
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:
4
Hydrogen Bond Donor Count:
2
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:
1.2
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