200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 122280-58-4
122280-58-4 | 2H-Indol-2-one, 5-(3,6-dihydro-2-oxo-2H-1,3,4-thiadiazin-5-yl)-1,3-dihydro-3-methyl-3-(methylthio)-
CAS No: 122280-58-4 Catalog No: AG001724 MDL No:
Product Description
Catalog Number:
AG001724
Chemical Name:
2H-Indol-2-one, 5-(3,6-dihydro-2-oxo-2H-1,3,4-thiadiazin-5-yl)-1,3-dihydro-3-methyl-3-(methylthio)-
CAS Number:
122280-58-4
Molecular Formula:
C13H13N3O2S2
Molecular Weight:
307.3912
IUPAC Name:
5-(3-methyl-3-methylsulfanyl-2-oxo-1H-indol-5-yl)-3,6-dihydro-1,3,4-thiadiazin-2-one
InChI:
InChI=1S/C13H13N3O2S2/c1-13(19-2)8-5-7(3-4-9(8)14-11(13)17)10-6-20-12(18)16-15-10/h3-5H,6H2,1-2H3,(H,14,17)(H,16,18)
InChI Key:
YRXBCMWOEVAJBM-UHFFFAOYSA-N
SMILES:
CSC1(C)C(=O)Nc2c1cc(cc2)C1=NNC(=O)SC1
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.045g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
307.386g/mol
Monoisotopic Mass:
307.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.