| CAS Number | 1347815-21-7 |
| Catalog Number | AG00HTSE(AGN-PC-0WQX62) |
| Chemical Name | Naphthalene-1,4-dithiocarboxamide |
| IUPAC Name | naphthalene-1,4-dicarbothioamide |
| InChI | InChI=1S/C12H10N2S2/c13-11(15)9-5-6-10(12(14)16)8-4-2-1-3-7(8)9/h1-6H,(H2,13,15)(H2,14,16) |
| InChI Key | RMVWFHNLLYPEGN-UHFFFAOYSA-N |
| MDL Number | MFCD20265223 |
| Molecular Formula | C12H10N2S2 |
| Molecular Weight | 246.3512 |
| SMILES | C1=CC=C2C(C(=S)N)=CC=C(C(=S)N)C2=C1 |
| Synonyms | Naphthalene-1,4-dithiocarboxamide,
1347815-21-7,
Naphthalene-1,4-bis(carbothioamide),
MFCD20265223,
ZINC72284451,
Naphthalene-1,4-dithiocarboxamide, 97%,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.346g/mol |
| Monoisotopic Mass | 246.029g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 116A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number