Home Carboxys 3-(ethylsulfanyl)pyrazine-2-carboxylic acid

3-(ethylsulfanyl)pyrazine-2-carboxylic acid

CAS No.:
74002-58-7
Catalog Number:
AG01BHN9
Molecular Formula:
C7H8N2O2S
Molecular Weight:
184.2156
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Product Description
Catalog Number:
AG01BHN9
Chemical Name:
3-(ethylsulfanyl)pyrazine-2-carboxylic acid
CAS Number:
74002-58-7
Molecular Formula:
C7H8N2O2S
Molecular Weight:
184.2156
MDL Number:
MFCD16852955
IUPAC Name:
3-ethylsulfanylpyrazine-2-carboxylic acid
InChI:
InChI=1S/C7H8N2O2S/c1-2-12-6-5(7(10)11)8-3-4-9-6/h3-4H,2H2,1H3,(H,10,11)
InChI Key:
YOWCEMKLAYITIH-UHFFFAOYSA-N
SMILES:
CCSc1nccnc1C(=O)O
Properties
Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.031g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.213g/mol
Monoisotopic Mass:
184.031g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
88.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties