200,000+ products from a single source!
sales@angenechem.com
113408-21-2 | 2,5-Pyrrolidinedione, 1-(6-methyl-2-benzothiazolyl)-
CAS No: 113408-21-2 Catalog No: AG0008HB MDL No:
Product Description
Catalog Number:
AG0008HB
Chemical Name:
2,5-Pyrrolidinedione, 1-(6-methyl-2-benzothiazolyl)-
CAS Number:
113408-21-2
Molecular Formula:
C12H10N2O2S
Molecular Weight:
246.2850
IUPAC Name:
1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,5-dione
InChI:
InChI=1S/C12H10N2O2S/c1-7-2-3-8-9(6-7)17-12(13-8)14-10(15)4-5-11(14)16/h2-3,6H,4-5H2,1H3
InChI Key:
FALQMEHXDIYIKB-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)sc(n2)N1C(=O)CCC1=O
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.046g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.284g/mol
Monoisotopic Mass:
246.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.