Home Nitros 1-[(4-Methoxyphenyl)methyl]-3-(5-nitro-1,3-thiazol-2-yl)urea

1-[(4-Methoxyphenyl)methyl]-3-(5-nitro-1,3-thiazol-2-yl)urea

CAS No.:
487021-52-3
Catalog Number:
AG00DB4T
Molecular Formula:
C12H12N4O4S
Molecular Weight:
308.3131
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$252
- +
250mg
95%
In Stock USA
United States
$441
- +
1g
95%
In Stock USA
United States
$882
- +
5g
95%
In Stock USA
United States
$2646
- +
Product Description
Catalog Number:
AG00DB4T
Chemical Name:
1-[(4-Methoxyphenyl)methyl]-3-(5-nitro-1,3-thiazol-2-yl)urea
CAS Number:
487021-52-3
Molecular Formula:
C12H12N4O4S
Molecular Weight:
308.3131
MDL Number:
MFCD08277040
IUPAC Name:
1-[(4-methoxyphenyl)methyl]-3-(5-nitro-1,3-thiazol-2-yl)urea
InChI:
InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)
InChI Key:
YAEMHJKFIIIULI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CNC(=O)Nc1ncc(s1)[N+](=O)[O-]
UNII:
87KSH90Q6D
Properties
Complexity:
371  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.058g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
308.312g/mol
Monoisotopic Mass:
308.058g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
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Properties