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

3-(phenylsulfanyl)pyrazine-2-carboxylic acid

CAS No.:
74002-60-1
Catalog Number:
AG01A6HU
Molecular Formula:
C11H8N2O2S
Molecular Weight:
232.2584
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Product Description
Catalog Number:
AG01A6HU
Chemical Name:
3-(phenylsulfanyl)pyrazine-2-carboxylic acid
CAS Number:
74002-60-1
Molecular Formula:
C11H8N2O2S
Molecular Weight:
232.2584
MDL Number:
MFCD05722394
IUPAC Name:
3-phenylsulfanylpyrazine-2-carboxylic acid
InChI:
InChI=1S/C11H8N2O2S/c14-11(15)9-10(13-7-6-12-9)16-8-4-2-1-3-5-8/h1-7H,(H,14,15)
InChI Key:
KLNMOOQFTYGDPO-UHFFFAOYSA-N
SMILES:
OC(=O)c1nccnc1Sc1ccccc1
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.031g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.257g/mol
Monoisotopic Mass:
232.031g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
88.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties