200,000+ products from a single source!
sales@angenechem.com
17727-74-1 | 9,10-Anthracenedione, 1,4-diamino-5,8-dihydroxy-2-(phenylthio)-
CAS No: 17727-74-1 Catalog No: AG00257X MDL No:
Product Description
Catalog Number:
AG00257X
Chemical Name:
9,10-Anthracenedione, 1,4-diamino-5,8-dihydroxy-2-(phenylthio)-
CAS Number:
17727-74-1
Molecular Formula:
C20H14N2O4S
Molecular Weight:
378.4012
IUPAC Name:
1,4-diamino-5,8-dihydroxy-2-phenylsulfanylanthracene-9,10-dione
InChI:
InChI=1S/C20H14N2O4S/c21-10-8-13(27-9-4-2-1-3-5-9)18(22)17-14(10)19(25)15-11(23)6-7-12(24)16(15)20(17)26/h1-8,23-24H,21-22H2
InChI Key:
PUHVZLBTWPOIFZ-UHFFFAOYSA-N
SMILES:
Nc1c(Sc2ccccc2)cc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)N
EC Number:
241-722-8
Properties
Complexity:
597
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.067g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
378.402g/mol
Monoisotopic Mass:
378.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.