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73791-26-1 | N-(2-THIOXOBENZOTHIAZOLIN-3-YLMETHYL)ANTHRANILIC ACID
CAS No: 73791-26-1 Catalog No: AG008Q0W MDL No:
Product Description
Catalog Number:
AG008Q0W
Chemical Name:
N-(2-THIOXOBENZOTHIAZOLIN-3-YLMETHYL)ANTHRANILIC ACID
CAS Number:
73791-26-1
Molecular Formula:
C15H12N2O2S2
Molecular Weight:
316.3980
IUPAC Name:
2-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]benzoic acid
InChI:
InChI=1S/C15H12N2O2S2/c18-14(19)10-5-1-2-6-11(10)16-9-17-12-7-3-4-8-13(12)21-15(17)20/h1-8,16H,9H2,(H,18,19)
InChI Key:
VDHLXPKGMXLEFH-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1NCn1c(=S)sc2c1cccc2
NSC Number:
86153
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.034g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
316.393g/mol
Monoisotopic Mass:
316.034g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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