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Home Carboxys 2-N-Boc-amino-4-benzothiazole-6-carboxylic acid

2-N-Boc-amino-4-benzothiazole-6-carboxylic acid

CAS No.:
225525-50-8
Catalog Number:
AG006XKJ
Molecular Formula:
C13H14N2O4S
Molecular Weight:
294.3263
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$228
- +
5g
98%
1 week
United States
$607
- +
25g
98%
1 week
United States
$2031
- +
Product Description
Catalog Number:
AG006XKJ
Chemical Name:
2-N-Boc-amino-4-benzothiazole-6-carboxylic acid
CAS Number:
225525-50-8
Molecular Formula:
C13H14N2O4S
Molecular Weight:
294.3263
MDL Number:
MFCD02179402
IUPAC Name:
2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazole-6-carboxylic acid
InChI:
InChI=1S/C13H14N2O4S/c1-13(2,3)19-12(18)15-11-14-8-5-4-7(10(16)17)6-9(8)20-11/h4-6H,1-3H3,(H,16,17)(H,14,15,18)
InChI Key:
HMAATCOHUYHORT-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1nc2c(s1)cc(cc2)C(=O)O
Properties
Complexity:
396  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.067g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
294.325g/mol
Monoisotopic Mass:
294.067g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
tert-Butyl N-[6-(N,N-dipropyl-carbamo-yl)-1,3-benzothia-zol-2-yl]carbamate. Acta crystallographica. Section E, Structure reports online 20100501
Properties