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Home Carboxys 2-(Methylamino)-1,3-thiazole-4-carboxylic acid hydrate

2-(Methylamino)-1,3-thiazole-4-carboxylic acid hydrate

CAS No.:
1269052-73-4
Catalog Number:
AG00J288
Molecular Formula:
C5H8N2O3S
Molecular Weight:
176.1936
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$226
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Product Description
Catalog Number:
AG00J288
Chemical Name:
2-(Methylamino)-1,3-thiazole-4-carboxylic acid hydrate
CAS Number:
1269052-73-4
Molecular Formula:
C5H8N2O3S
Molecular Weight:
176.1936
MDL Number:
MFCD18483547
IUPAC Name:
2-(methylamino)-1,3-thiazole-4-carboxylic acid;hydrate
InChI:
InChI=1S/C5H6N2O2S.H2O/c1-6-5-7-3(2-10-5)4(8)9;/h2H,1H3,(H,6,7)(H,8,9);1H2
InChI Key:
NJDVIOBZRVSDGQ-UHFFFAOYSA-N
SMILES:
CNc1scc(n1)C(=O)O.O
Properties
Complexity:
142  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.026g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
176.19g/mol
Monoisotopic Mass:
176.026g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
91.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties