Home Sulfos 4H-1,2,4-triazole-3-sulfonyl fluoride

4H-1,2,4-triazole-3-sulfonyl fluoride

CAS No.:
78201-15-7
Catalog Number:
AG01B1AW
Molecular Formula:
C2H2FN3O2S
Molecular Weight:
151.1196
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Product Description
Catalog Number:
AG01B1AW
Chemical Name:
4H-1,2,4-triazole-3-sulfonyl fluoride
CAS Number:
78201-15-7
Molecular Formula:
C2H2FN3O2S
Molecular Weight:
151.1196
MDL Number:
MFCD20683378
IUPAC Name:
1H-1,2,4-triazole-5-sulfonyl fluoride
InChI:
InChI=1S/C2H2FN3O2S/c3-9(7,8)2-4-1-5-6-2/h1H,(H,4,5,6)
InChI Key:
NJTSYRNPMQYKOY-UHFFFAOYSA-N
SMILES:
FS(=O)(=O)c1[nH]cnn1
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.985g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
151.115g/mol
Monoisotopic Mass:
150.985g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties