172516-42-6
Product Name:
METHYL 3-(ETHYLTHIO)-6,6-DIMETHYL-4-OXO-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBOXYLATE
Formula:
C14H18O3S2
Inquiry
COMPUTED DESCRIPTORS
Molecular Weight | 298.4 g/mol |
---|---|
XLogP3 | 3.9 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 4 |
Exact Mass | 298.06973678 g/mol |
Monoisotopic Mass | 298.06973678 g/mol |
Topological Polar Surface Area | 96.9 Ų |
Heavy Atom Count | 19 |
Formal Charge | 0 |
Complexity | 381 |
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 |