Home Carboxys 6-(Ethylthio)-pyrazinecarboxylicacid

6-(Ethylthio)-pyrazinecarboxylicacid

CAS No.:
66533-64-0
Catalog Number:
AG00FOEZ
Molecular Formula:
C7H8N2O2S
Molecular Weight:
184.2156
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00FOEZ
Chemical Name:
6-(Ethylthio)-pyrazinecarboxylicacid
CAS Number:
66533-64-0
Molecular Formula:
C7H8N2O2S
Molecular Weight:
184.2156
MDL Number:
MFCD00233249
IUPAC Name:
6-ethylsulfanylpyrazine-2-carboxylic acid
InChI:
InChI=1S/C7H8N2O2S/c1-2-12-6-4-8-3-5(9-6)7(10)11/h3-4H,2H2,1H3,(H,10,11)
InChI Key:
FRMBIAOUEAWTMH-UHFFFAOYSA-N
SMILES:
CCSc1cncc(n1)C(=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