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170802-47-8 | Acetamide, N-2-benzothiazolyl-2-cyano- (9CI)
CAS No: 170802-47-8 Catalog No: AG00ATOC MDL No:MFCD01343376
Product Description
Catalog Number:
AG00ATOC
Chemical Name:
Acetamide, N-2-benzothiazolyl-2-cyano- (9CI)
CAS Number:
170802-47-8
Molecular Formula:
C10H7N3OS
Molecular Weight:
217.2471
MDL Number:
MFCD01343376
IUPAC Name:
N-(1,3-benzothiazol-2-yl)-2-cyanoacetamide
InChI:
InChI=1S/C10H7N3OS/c11-6-5-9(14)13-10-12-7-3-1-2-4-8(7)15-10/h1-4H,5H2,(H,12,13,14)
InChI Key:
ISWVTKOHDNMTOI-UHFFFAOYSA-N
SMILES:
N#CCC(=O)Nc1nc2c(s1)cccc2
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.031g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.246g/mol
Monoisotopic Mass:
217.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Synthesis and antimicrobial activity of some new thiazole, thiophene and pyrazole derivatives containing benzothiazole moiety. | European journal of medicinal chemistry 20100901 |
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