790270-68-7
Product Name:
2-Furancarboxylic acid, 5-[[(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio]methyl]-, methyl ester
Formula:
C9H8N2O3S3
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 288.4 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 287.96970564 g/mol |
| Monoisotopic Mass | 287.96970564 g/mol |
| Topological Polar Surface Area | 147 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 361 |
| 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
5-[[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thio]methyl]-2-furancarboxylic acid methyl ester is a carboxylic ester. It is functionally related to a 2-furoic acid.