Home Carboxys 5-(methylsulfanyl)furan-2-carboxylic acid

5-(methylsulfanyl)furan-2-carboxylic acid

CAS No.:
21984-78-1
Catalog Number:
AG01AHC3
Molecular Formula:
C6H6O3S
Molecular Weight:
158.1750
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Product Description
Catalog Number:
AG01AHC3
Chemical Name:
5-(methylsulfanyl)furan-2-carboxylic acid
CAS Number:
21984-78-1
Molecular Formula:
C6H6O3S
Molecular Weight:
158.1750
MDL Number:
MFCD16692249
IUPAC Name:
5-methylsulfanylfuran-2-carboxylic acid
InChI:
InChI=1S/C6H6O3S/c1-10-5-3-2-4(9-5)6(7)8/h2-3H,1H3,(H,7,8)
InChI Key:
PNYVTYSSGKJUSE-UHFFFAOYSA-N
SMILES:
CSc1ccc(o1)C(=O)O
Properties
Complexity:
137  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.004g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
158.171g/mol
Monoisotopic Mass:
158.004g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties