AC1O53OF

1-amino-4-(1,3-benzothiazol-2-ylsulfanyl)-9,10-dioxoanthracene-2-sulfonic acid

Also Known As: EINECS 279-286-6|1-Amino-4-(2-benzothiazol-ylthio)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid|1-amino-4- -9,10-dihydro-9,10-dioxoanthracene-2-sulphonicacid|1-amino-4-(1,3-benzothiazol-2-ylsulfanyl)-9,10-dioxoanthracene-2-sulfonic acid|1-amino-4-benzothiazol-2-ylsulfanyl-9,10-dioxo-anthracene-2-sulfonic Acid|1-Amino-4-(2-benzothiazolylthio)-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid|1-AMINO-4-(1,3-BENZOTHIAZOL-2-YLSULFANYL)-9,10-DIOXO-9,10-DIHYDROANTHRACENE-2-SULFONIC ACID|1-AMINO-4-(2-BENZOTHIAZOL-YLTHIO)-9,10-DIHYDRO-9,10-DIOXOANTHRACENE-2-SULFONIC ACID|1-Amino-4-[(1,3-benzothiazol-2-yl)sulfanyl]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid

Molecular Formula	C21H12N2O5S3
Molecular Weight	467.99084 g/mol
LogP	4.0518
Topological Polar Surface Area	127.42 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	3
Exact Mass	467.99084
Monoisotopic Mass	467.99084
Heavy Atoms	31
Complexity	1507.1589

Chemical Identifiers

CAS Number	79817-55-3
SMILES	C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3SC4=NC5=CC=CC=C5S4)S(=O)(=O)O)N