3-BROMO-5-(4-METHYLBENZYLSULFONYL)-1,2,4-THIADIAZOLE


Chemical Name: 3-BROMO-5-(4-METHYLBENZYLSULFONYL)-1,2,4-THIADIAZOLE
CAS Number: 494763-25-6
Product Number: AG00D9WQ(AGN-PC-0KKOL5)
Synonyms:
MDL No:
Molecular Formula: C10H9BrN2O2S2
Molecular Weight: 333.22466

Identification/Properties


Computed Properties
Molecular Weight:
333.218g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
331.929g/mol
Monoisotopic Mass:
331.929g/mol
Topological Polar Surface Area:
96.5A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
350
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


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