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102449-89-8 | Benzoic acid, 3,3'-dithiobis[4-amino-
CAS No: 102449-89-8 Catalog No: AG0007IP MDL No:MFCD20441327
Product Description
Catalog Number:
AG0007IP
Chemical Name:
Benzoic acid, 3,3'-dithiobis[4-amino-
CAS Number:
102449-89-8
Molecular Formula:
C14H12N2O4S2
Molecular Weight:
336.3861
MDL Number:
MFCD20441327
IUPAC Name:
4-amino-3-[(2-amino-5-carboxyphenyl)disulfanyl]benzoic acid
InChI:
InChI=1S/C14H12N2O4S2/c15-9-3-1-7(13(17)18)5-11(9)21-22-12-6-8(14(19)20)2-4-10(12)16/h1-6H,15-16H2,(H,17,18)(H,19,20)
InChI Key:
JDRRJHFHSIBHDM-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)SSc1cc(ccc1N)C(=O)O)N
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.024g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
336.38g/mol
Monoisotopic Mass:
336.024g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
177A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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