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

3-(benzylsulfanyl)pyrazine-2-carboxylic acid

CAS No.:
74002-59-8
Catalog Number:
AG01B7BA
Molecular Formula:
C12H10N2O2S
Molecular Weight:
246.2850
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Product Description
Catalog Number:
AG01B7BA
Chemical Name:
3-(benzylsulfanyl)pyrazine-2-carboxylic acid
CAS Number:
74002-59-8
Molecular Formula:
C12H10N2O2S
Molecular Weight:
246.2850
MDL Number:
MFCD17524559
IUPAC Name:
3-benzylsulfanylpyrazine-2-carboxylic acid
InChI:
InChI=1S/C12H10N2O2S/c15-12(16)10-11(14-7-6-13-10)17-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,15,16)
InChI Key:
OMNDPRPCKFNBNP-UHFFFAOYSA-N
SMILES:
OC(=O)c1nccnc1SCc1ccccc1
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.046g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
246.284g/mol
Monoisotopic Mass:
246.046g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
88.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties