Home Carboxys 4-Amino-2-(ethylthio)pyrimidine-5-carboxylic acid

4-Amino-2-(ethylthio)pyrimidine-5-carboxylic acid

CAS No.:
89853-87-2
Catalog Number:
AG0033VY
Molecular Formula:
C7H9N3O2S
Molecular Weight:
199.2303
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Product Description
Catalog Number:
AG0033VY
Chemical Name:
4-Amino-2-(ethylthio)pyrimidine-5-carboxylic acid
CAS Number:
89853-87-2
Molecular Formula:
C7H9N3O2S
Molecular Weight:
199.2303
MDL Number:
MFCD00023249
IUPAC Name:
4-amino-2-ethylsulfanylpyrimidine-5-carboxylic acid
InChI:
InChI=1S/C7H9N3O2S/c1-2-13-7-9-3-4(6(11)12)5(8)10-7/h3H,2H2,1H3,(H,11,12)(H2,8,9,10)
InChI Key:
TYAKXNHFMATCHA-UHFFFAOYSA-N
SMILES:
CCSc1ncc(c(n1)N)C(=O)O
NSC Number:
122014
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.042g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
199.228g/mol
Monoisotopic Mass:
199.042g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties