Home Carboxys 2-tert-Butoxycarbonylamino-4,5,6,7-tetrahydro-benzothiazole-6-carboxylic acid

2-tert-Butoxycarbonylamino-4,5,6,7-tetrahydro-benzothiazole-6-carboxylic acid

CAS No.:
1820683-35-9
Catalog Number:
AG00I0ST
Molecular Formula:
C13H18N2O4S
Molecular Weight:
298.3580
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$388
- +
5g
95%
In Stock USA
United States
$1107
- +
10g
95%
In Stock USA
United States
$1875
- +
Product Description
Catalog Number:
AG00I0ST
Chemical Name:
2-tert-Butoxycarbonylamino-4,5,6,7-tetrahydro-benzothiazole-6-carboxylic acid
CAS Number:
1820683-35-9
Molecular Formula:
C13H18N2O4S
Molecular Weight:
298.3580
MDL Number:
MFCD27918617
IUPAC Name:
2-[(2-methylpropan-2-yl)oxycarbonylamino]-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid
InChI:
InChI=1S/C13H18N2O4S/c1-13(2,3)19-12(18)15-11-14-8-5-4-7(10(16)17)6-9(8)20-11/h7H,4-6H2,1-3H3,(H,16,17)(H,14,15,18)
InChI Key:
GVHQFEJYCMAKHM-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:
298.099g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
298.357g/mol
Monoisotopic Mass:
298.099g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties