Home Carboxys 5-(methylsulfanyl)furan-3-carboxylic acid

5-(methylsulfanyl)furan-3-carboxylic acid

CAS No.:
1909328-16-0
Catalog Number:
AG01C4XR
Molecular Formula:
C6H6O3S
Molecular Weight:
158.1750
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Product Description
Catalog Number:
AG01C4XR
Chemical Name:
5-(methylsulfanyl)furan-3-carboxylic acid
CAS Number:
1909328-16-0
Molecular Formula:
C6H6O3S
Molecular Weight:
158.1750
MDL Number:
MFCD29763230
IUPAC Name:
5-methylsulfanylfuran-3-carboxylic acid
InChI:
InChI=1S/C6H6O3S/c1-10-5-2-4(3-9-5)6(7)8/h2-3H,1H3,(H,7,8)
InChI Key:
CHTXNWPABCMYSJ-UHFFFAOYSA-N
SMILES:
CSc1occ(c1)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:
1.4  
Properties