200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 139477-31-9
139477-31-9 | 2,5-Pyrrolidinedione, 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-phenyl-
CAS No: 139477-31-9 Catalog No: AG001B3A MDL No:
Product Description
Catalog Number:
AG001B3A
Chemical Name:
2,5-Pyrrolidinedione, 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-phenyl-
CAS Number:
139477-31-9
Molecular Formula:
C14H13N3O2S
Molecular Weight:
287.3369
IUPAC Name:
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-phenylpyrrolidine-2,5-dione
InChI:
InChI=1S/C14H13N3O2S/c1-2-11-15-16-14(20-11)17-12(18)8-10(13(17)19)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
InChI Key:
QRRPBXKEUAHZHJ-UHFFFAOYSA-N
SMILES:
CCc1nnc(s1)N1C(=O)CC(C1=O)c1ccccc1
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.073g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.337g/mol
Monoisotopic Mass:
287.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.