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115948-32-8 | Benzamide, 4-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)-N-methyl-
CAS No: 115948-32-8 Catalog No: AG000H5T MDL No:
Product Description
Catalog Number:
AG000H5T
Chemical Name:
Benzamide, 4-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)-N-methyl-
CAS Number:
115948-32-8
Molecular Formula:
C9H9N5OS
Molecular Weight:
235.2657
IUPAC Name:
N-methyl-4-(5-sulfanylidene-2H-tetrazol-1-yl)benzamide
InChI:
InChI=1S/C9H9N5OS/c1-10-8(15)6-2-4-7(5-3-6)14-9(16)11-12-13-14/h2-5H,1H3,(H,10,15)(H,11,13,16)
InChI Key:
XRKACVUPIXSCEQ-UHFFFAOYSA-N
SMILES:
CNC(=O)c1ccc(cc1)n1[nH]nnc1=S
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.053g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.265g/mol
Monoisotopic Mass:
235.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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