Methanesulfinic acid,1-[(5-arsonoyl-2-hydroxyphenyl)amino]-, sodium salt (1:2) 535-51-3

Details:

Identification and Related Records
【Name】
Methanesulfinic acid,1-[(5-arsonoyl-2-hydroxyphenyl)amino]-, sodium salt (1:2)
【Iupac name】
sodium (5-arsono-2-hydroxyanilino)methanesulfinic acid
【CAS Registry number】
535-51-3
【Synonyms】
Aldarsone(6CI)
Methanesulfinic acid, (5-arsono-2-hydroxyanilino)-, disodium salt (8CI)
Methanesulfinic acid, [(5-arsono-2-hydroxyphenyl)amino]-, disodium salt (9CI)
m-Arsanilic acid, 4-hydroxy-N-(sulfinomethyl)-, disodium salt (7CI)
NSC 31038
Phenarsone sulfoxylate
Phenarsone sulfoxylate, disodium salt
Sodium 3-amino-4-hydroxyphenylarsonate-N-methanalsulfoxylate
【Molecular Formula】
C7H10 As N O6 S . 2 Na (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C7H10AsNO6S.2Na/c10-7-2-1-5(8(11,12)13)3-6(7)9-4-16(14)15;;/h1-3,9-10H,4H2,(H,14,15)(H2,11,12,13);;/q;2*+1/p-2
【Canonical SMILES】
C1=CC(=C(C=C1[As](=O)(O)O)NCS(=O)O)O.[Na+]
Chemical and Physical Properties
【Density】
g/cm3
【Boiling Point】
814.4°Cat760mmHg
【Flash Point】
446.3°C
【Computed Properties】
Molecular Weight:334.13377 [g/mol]
Molecular Formula:C7H10AsNNaO6S+
H-Bond Donor:5
H-Bond Acceptor:8
Rotatable Bond Count:4
Tautomer Count:3
Exact Mass:333.934249
MonoIsotopic Mass:333.934249
Topological Polar Surface Area:146
Heavy Atom Count:17
Formal Charge:1
Complexity:307
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2