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104388-92-3 | Ethanediamide, N-2-benzothiazolyl-N-methyl-
CAS No: 104388-92-3 Catalog No: AG008616 MDL No:
Product Description
Catalog Number:
AG008616
Chemical Name:
Ethanediamide, N-2-benzothiazolyl-N-methyl-
CAS Number:
104388-92-3
Molecular Formula:
C10H9N3O2S
Molecular Weight:
235.2624
IUPAC Name:
N'-(1,3-benzothiazol-2-yl)-N'-methyloxamide
InChI:
InChI=1S/C10H9N3O2S/c1-13(9(15)8(11)14)10-12-6-4-2-3-5-7(6)16-10/h2-5H,1H3,(H2,11,14)
InChI Key:
MKGVHDROCKURIV-UHFFFAOYSA-N
SMILES:
O=C(N(c1nc2c(s1)cccc2)C)C(=O)N
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.042g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.261g/mol
Monoisotopic Mass:
235.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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