Home Halogens 4-chloro-2-(methylthio)pyrimidine-5-carboxylic acid

4-chloro-2-(methylthio)pyrimidine-5-carboxylic acid

CAS No.:
74840-34-9
Catalog Number:
AG005SHR
Molecular Formula:
C6H5ClN2O2S
Molecular Weight:
204.6341
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Product Description
Catalog Number:
AG005SHR
Chemical Name:
4-chloro-2-(methylthio)pyrimidine-5-carboxylic acid
CAS Number:
74840-34-9
Molecular Formula:
C6H5ClN2O2S
Molecular Weight:
204.6341
MDL Number:
MFCD06643376
IUPAC Name:
4-chloro-2-methylsulfanylpyrimidine-5-carboxylic acid
InChI:
InChI=1S/C6H5ClN2O2S/c1-12-6-8-2-3(5(10)11)4(7)9-6/h2H,1H3,(H,10,11)
InChI Key:
MYNMNRVNVCHWIT-UHFFFAOYSA-N
SMILES:
CSc1ncc(c(n1)Cl)C(=O)O
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.976g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.628g/mol
Monoisotopic Mass:
203.976g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
88.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties