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84334-21-4 | Benzoic acid, 2-[[[(methylthio)carbonyl]amino]sulfonyl]-, methyl ester
CAS No: 84334-21-4 Catalog No: AG004T8H MDL No:
Product Description
Catalog Number:
AG004T8H
Chemical Name:
Benzoic acid, 2-[[[(methylthio)carbonyl]amino]sulfonyl]-, methyl ester
CAS Number:
84334-21-4
Molecular Formula:
C10H11NO5S2
Molecular Weight:
289.3280
IUPAC Name:
methyl 2-(methylsulfanylcarbonylsulfamoyl)benzoate
InChI:
InChI=1S/C10H11NO5S2/c1-16-9(12)7-5-3-4-6-8(7)18(14,15)11-10(13)17-2/h3-6H,1-2H3,(H,11,13)
InChI Key:
GYJJWMBJTVFQQZ-UHFFFAOYSA-N
SMILES:
CSC(=O)NS(=O)(=O)c1ccccc1C(=O)OC
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.008g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.32g/mol
Monoisotopic Mass:
289.008g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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