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Home Sulfos 4-(4-Ethynylbenzenesulfonyl)-piperazine-1-carboxylic acid tert-butyl ester

4-(4-Ethynylbenzenesulfonyl)-piperazine-1-carboxylic acid tert-butyl ester

CAS No.:
1162257-02-4
Catalog Number:
AG00HDPF
Molecular Formula:
C17H22N2O4S
Molecular Weight:
350.4326
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
In Stock USA
United States
$125
- +
1g
97%
In Stock USA
United States
$313
- +
5g
97%
In Stock USA
United States
$1188
- +
Product Description
Catalog Number:
AG00HDPF
Chemical Name:
4-(4-Ethynylbenzenesulfonyl)-piperazine-1-carboxylic acid tert-butyl ester
CAS Number:
1162257-02-4
Molecular Formula:
C17H22N2O4S
Molecular Weight:
350.4326
MDL Number:
MFCD25562899
IUPAC Name:
tert-butyl 4-(4-ethynylphenyl)sulfonylpiperazine-1-carboxylate
InChI:
InChI=1S/C17H22N2O4S/c1-5-14-6-8-15(9-7-14)24(21,22)19-12-10-18(11-13-19)16(20)23-17(2,3)4/h1,6-9H,10-13H2,2-4H3
InChI Key:
LSSTVRBCIGMSMU-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
593  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.13g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.433g/mol
Monoisotopic Mass:
350.13g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties