| CAS Number | 127084-74-6 |
| Catalog Number | AG01CC17(AGN-PC-0WOLUQ) |
| Chemical Name | O,O-Di-2-Naphthalenyl Ester Carbonothioic Acid |
| IUPAC Name | dinaphthalen-2-yloxymethanethione |
| InChI | InChI=1S/C21H14O2S/c24-21(22-19-11-9-15-5-1-3-7-17(15)13-19)23-20-12-10-16-6-2-4-8-18(16)14-20/h1-14H |
| InChI Key | GJSWKYAOWCAEBJ-UHFFFAOYSA-N |
| Molecular Formula | C21H14O2S |
| Molecular Weight | 330.3997 |
| SMILES | S=C(Oc1ccc2ccccc2c1)Oc3ccc4ccccc4c3 |
| Synonyms | 127084-74-6,
dinaphthalen-2-yloxymethanethione,
AC1MBP4B,
C21H14O2S,
ZINC3850320,
AKOS004909037,
ZINC03850320,
CID2754317,
Carbonothioic acid, O,O-di-2-naphthalenyl ester (en),
|
| Complexity | 400 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 330.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 330.401g/mol |
| Monoisotopic Mass | 330.071g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 50.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number