172516-41-5
Product Name:
6,6-Dimethyl-3-(methylthio)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-oxo-1-carboxylic acid, tech.
Formula:
C12H14O3S2
Inquiry
COMPUTED DESCRIPTORS
Molecular Weight | 270.4 g/mol |
---|---|
XLogP3 | 3.2 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 2 |
Exact Mass | 270.03843665 g/mol |
Monoisotopic Mass | 270.03843665 g/mol |
Topological Polar Surface Area | 108 Ų |
Heavy Atom Count | 17 |
Formal Charge | 0 |
Complexity | 354 |
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 |
PRODUCT INTRODUCTION
description
6,6-dimethyl-3-(methylthio)-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylic acid is a thiophenecarboxylic acid.