Home Carboxys 2-(methylsulfanyl)-1-phenyl-1H-imidazole-5-carboxylic acid

2-(methylsulfanyl)-1-phenyl-1H-imidazole-5-carboxylic acid

CAS No.:
852217-76-6
Catalog Number:
AG00IDL4
Molecular Formula:
C11H10N2O2S
Molecular Weight:
234.2743
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Product Description
Catalog Number:
AG00IDL4
Chemical Name:
2-(methylsulfanyl)-1-phenyl-1H-imidazole-5-carboxylic acid
CAS Number:
852217-76-6
Molecular Formula:
C11H10N2O2S
Molecular Weight:
234.2743
MDL Number:
MFCD06655356
IUPAC Name:
2-methylsulfanyl-3-phenylimidazole-4-carboxylic acid
InChI:
InChI=1S/C11H10N2O2S/c1-16-11-12-7-9(10(14)15)13(11)8-5-3-2-4-6-8/h2-7H,1H3,(H,14,15)
InChI Key:
NYRLRKPYIWJTTG-UHFFFAOYSA-N
SMILES:
CSc1ncc(n1c1ccccc1)C(=O)O
Properties
Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.046g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
234.273g/mol
Monoisotopic Mass:
234.046g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties