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81759-37-7 | Benzenesulfonamide, 4-[5-[(2-cyanoethyl)thio]-1H-tetrazol-1-yl]-
CAS No: 81759-37-7 Catalog No: AG008LJ5 MDL No:
Product Description
Catalog Number:
AG008LJ5
Chemical Name:
Benzenesulfonamide, 4-[5-[(2-cyanoethyl)thio]-1H-tetrazol-1-yl]-
CAS Number:
81759-37-7
Molecular Formula:
C10H10N6O2S2
Molecular Weight:
310.3554
IUPAC Name:
4-[5-(2-cyanoethylsulfanyl)tetrazol-1-yl]benzenesulfonamide
InChI:
InChI=1S/C10H10N6O2S2/c11-6-1-7-19-10-13-14-15-16(10)8-2-4-9(5-3-8)20(12,17)18/h2-5H,1,7H2,(H2,12,17,18)
InChI Key:
ZWNCSKQXXWUHPP-UHFFFAOYSA-N
SMILES:
N#CCCSc1nnnn1c1ccc(cc1)S(=O)(=O)N
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.031g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.35g/mol
Monoisotopic Mass:
310.031g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
161A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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