175201-55-5
Product Name:
METHYL 3-AMINO-4-(PHENYLSULFONYL)THIOPHENE-2-CARBOXYLATE
Formula:
C12H11NO4S2
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Solubility | 1.9 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
Molecular Weight | 297.4 g/mol |
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XLogP3 | 2.5 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 4 |
Exact Mass | 297.01295018 g/mol |
Monoisotopic Mass | 297.01295018 g/mol |
Topological Polar Surface Area | 123 Ų |
Heavy Atom Count | 19 |
Formal Charge | 0 |
Complexity | 426 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |