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145865-78-7 | 2-Thiophenecarboxylic acid, 3-[[2-(phenylmethylene)hydrazinyl]sulfonyl]-, methyl ester
CAS No: 145865-78-7 Catalog No: AG001DHA MDL No:
Product Description
Catalog Number:
AG001DHA
Chemical Name:
2-Thiophenecarboxylic acid, 3-[[2-(phenylmethylene)hydrazinyl]sulfonyl]-, methyl ester
CAS Number:
145865-78-7
Molecular Formula:
C13H12N2O4S2
Molecular Weight:
324.3754
IUPAC Name:
methyl 3-[(benzylideneamino)sulfamoyl]thiophene-2-carboxylate
InChI:
InChI=1S/C13H12N2O4S2/c1-19-13(16)12-11(7-8-20-12)21(17,18)15-14-9-10-5-3-2-4-6-10/h2-9,15H,1H3
InChI Key:
VWVLBVQZEWFMDE-UHFFFAOYSA-N
SMILES:
COC(=O)c1sccc1S(=O)(=O)NN=Cc1ccccc1
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.024g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.369g/mol
Monoisotopic Mass:
324.024g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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