1H-1,2,4-Triazole-3-sulfonyl chloride, 5-(1,1-dimethylethyl)-


Chemical Name: 1H-1,2,4-Triazole-3-sulfonyl chloride, 5-(1,1-dimethylethyl)-
CAS Number: 59689-65-5
Product Number: AG00EKYW(AGN-PC-041KLR)
Synonyms:
MDL No:
Molecular Formula: C6H10ClN3O2S
Molecular Weight: 223.6805

Identification/Properties


Computed Properties
Molecular Weight:
223.675g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
223.018g/mol
Monoisotopic Mass:
223.018g/mol
Topological Polar Surface Area:
84.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
279
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


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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