Home Sulfos 5-tert-butyl-1H-1,2,4-triazole-3-sulfonyl chloride

5-tert-butyl-1H-1,2,4-triazole-3-sulfonyl chloride

CAS No.:
59689-65-5
Catalog Number:
AG00EKYW
Molecular Formula:
C6H10ClN3O2S
Molecular Weight:
223.6805
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Product Description
Catalog Number:
AG00EKYW
Chemical Name:
5-tert-butyl-1H-1,2,4-triazole-3-sulfonyl chloride
CAS Number:
59689-65-5
Molecular Formula:
C6H10ClN3O2S
Molecular Weight:
223.6805
MDL Number:
MFCD22371948
IUPAC Name:
5-tert-butyl-1H-1,2,4-triazole-3-sulfonyl chloride
InChI:
InChI=1S/C6H10ClN3O2S/c1-6(2,3)4-8-5(10-9-4)13(7,11)12/h1-3H3,(H,8,9,10)
InChI Key:
GEXZYDSRMARZCN-UHFFFAOYSA-N
SMILES:
CC(c1[nH]nc(n1)S(=O)(=O)Cl)(C)C
Properties
Complexity:
279  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.018g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.675g/mol
Monoisotopic Mass:
223.018g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties