200,000+ products from a single source!
sales@angenechem.com
189753-88-6 | 9,10-Anthracenedione, 1-mercapto-4-[(4-methylphenyl)amino]-
CAS No: 189753-88-6 Catalog No: AG002DY0 MDL No:
Product Description
Catalog Number:
AG002DY0
Chemical Name:
9,10-Anthracenedione, 1-mercapto-4-[(4-methylphenyl)amino]-
CAS Number:
189753-88-6
Molecular Formula:
C21H15NO2S
Molecular Weight:
345.4143
IUPAC Name:
1-(4-methylanilino)-4-sulfanylanthracene-9,10-dione
InChI:
InChI=1S/C21H15NO2S/c1-12-6-8-13(9-7-12)22-16-10-11-17(25)19-18(16)20(23)14-4-2-3-5-15(14)21(19)24/h2-11,22,25H,1H3
InChI Key:
KPOHGADQMCEDMJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)S
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.082g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
345.416g/mol
Monoisotopic Mass:
345.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.