Home Sulfos 2-(4-tert-butylbenzenesulfonyl)ethan-1-amine

2-(4-tert-butylbenzenesulfonyl)ethan-1-amine

CAS No.:
1017173-46-4
Catalog Number:
AG01AGNG
Molecular Formula:
C12H19NO2S
Molecular Weight:
241.3498
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Product Description
Catalog Number:
AG01AGNG
Chemical Name:
2-(4-tert-butylbenzenesulfonyl)ethan-1-amine
CAS Number:
1017173-46-4
Molecular Formula:
C12H19NO2S
Molecular Weight:
241.3498
MDL Number:
MFCD09893686
IUPAC Name:
2-(4-tert-butylphenyl)sulfonylethanamine
InChI:
InChI=1S/C12H19NO2S/c1-12(2,3)10-4-6-11(7-5-10)16(14,15)9-8-13/h4-7H,8-9,13H2,1-3H3
InChI Key:
HVXRXGNDSDLWQP-UHFFFAOYSA-N
SMILES:
NCCS(=O)(=O)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
303  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.114g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
241.349g/mol
Monoisotopic Mass:
241.114g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties