Home Carboxys 6-(methylsulfanyl)pyrazine-2-carboxylic acid

6-(methylsulfanyl)pyrazine-2-carboxylic acid

CAS No.:
1522334-39-9
Catalog Number:
AG01BRP3
Molecular Formula:
C6H6N2O2S
Molecular Weight:
170.1890
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BRP3
Chemical Name:
6-(methylsulfanyl)pyrazine-2-carboxylic acid
CAS Number:
1522334-39-9
Molecular Formula:
C6H6N2O2S
Molecular Weight:
170.1890
MDL Number:
MFCD21779561
IUPAC Name:
6-methylsulfanylpyrazine-2-carboxylic acid
InChI:
InChI=1S/C6H6N2O2S/c1-11-5-3-7-2-4(8-5)6(9)10/h2-3H,1H3,(H,9,10)
InChI Key:
JPUVCZOVGLSZCJ-UHFFFAOYSA-N
SMILES:
CSc1cncc(n1)C(=O)O
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.015g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.186g/mol
Monoisotopic Mass:
170.015g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
88.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties