| CAS Number | 91974-48-0 |
| Catalog Number | AG003OWY(AGN-PC-0JUSZU) |
| Chemical Name | Cinnamylidencyanothioacetamide |
| IUPAC Name | 2-cyano-5-phenylpenta-2,4-dienethioamide |
| InChI | InChI=1S/C12H10N2S/c13-9-11(12(14)15)8-4-7-10-5-2-1-3-6-10/h1-8H,(H2,14,15) |
| InChI Key | ZFQNTRNDIHSZDF-UHFFFAOYSA-N |
| MDL Number | MFCD00119186 |
| Molecular Formula | C12H10N2S |
| Molecular Weight | 214.2862 |
| SMILES | N#CC(=CC=Cc1ccccc1)C(=S)N |
| Synonyms | 2-cyano-5-phenylpenta-2,4-dienethioamide,
Cinnamylidencyanothioacetamide,
91974-48-0,
ACMC-209rec,
AC1LDXY6,
Oprea1_299202,
CTK3G3255,
DTXSID10350361,
ANW-39778,
MCULE-2635470585,
2,4-Pentadienethioamide, 2-cyano-5-phenyl-,
CID677070,
ZINC00040570,
2-cyano-5-phenyl-2,4-pentadienethioamide,
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| Complexity | 327 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.286g/mol |
| Monoisotopic Mass | 214.056g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 81.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 2 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number