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tert-Butyl 4-(benzo[b]thiophen-4-yl)piperazine-1-carboxylate

CAS No.:
1191901-07-1
Catalog Number:
AG000IAY
Molecular Formula:
C17H22N2O2S
Molecular Weight:
318.4338
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$299
- +
1g
95%
1 week
United States
$691
- +
Product Description
Catalog Number:
AG000IAY
Chemical Name:
tert-Butyl 4-(benzo[b]thiophen-4-yl)piperazine-1-carboxylate
CAS Number:
1191901-07-1
Molecular Formula:
C17H22N2O2S
Molecular Weight:
318.4338
MDL Number:
MFCD27918709
IUPAC Name:
tert-butyl 4-(1-benzothiophen-4-yl)piperazine-1-carboxylate
InChI:
InChI=1S/C17H22N2O2S/c1-17(2,3)21-16(20)19-10-8-18(9-11-19)14-5-4-6-15-13(14)7-12-22-15/h4-7,12H,8-11H2,1-3H3
InChI Key:
CCKKZUUXAAEVRO-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)c1cccc2c1ccs2)OC(C)(C)C
Properties
Complexity:
402  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.14g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.435g/mol
Monoisotopic Mass:
318.14g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties