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100060-13-7 | 2-Benzothiazolebutanamide
CAS No: 100060-13-7 Catalog No: AG0000SD MDL No:
Product Description
Catalog Number:
AG0000SD
Chemical Name:
2-Benzothiazolebutanamide
CAS Number:
100060-13-7
Molecular Formula:
C11H12N2OS
Molecular Weight:
220.2908
IUPAC Name:
4-(1,3-benzothiazol-2-yl)butanamide
InChI:
InChI=1S/C11H12N2OS/c12-10(14)6-3-7-11-13-8-4-1-2-5-9(8)15-11/h1-2,4-5H,3,6-7H2,(H2,12,14)
InChI Key:
YJAYSTKTNOOHLX-UHFFFAOYSA-N
SMILES:
NC(=O)CCCc1nc2c(s1)cccc2
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.067g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.29g/mol
Monoisotopic Mass:
220.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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