| CAS Number | 948015-48-3 |
| Catalog Number | AG00IIJO |
| Chemical Name | 3-(Benzhydrylideneamino)-2-cyano-5-methylthiophene |
| IUPAC Name | 3-(benzhydrylideneamino)-5-methylthiophene-2-carbonitrile |
| InChI | InChI=1S/C19H14N2S/c1-14-12-17(18(13-20)22-14)21-19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-12H,1H3 |
| InChI Key | QDYPZLYMUSLBAQ-UHFFFAOYSA-N |
| MDL Number | MFCD09800360 |
| Molecular Formula | C19H14N2S |
| Molecular Weight | 302.3929 |
| SMILES | S1C(C)=CC(=C1C#N)/N=C(C1C=CC=CC=1)/C1C=CC=CC=1 |
| Synonyms | 3-(Benzhydrylideneamino)-2-cyano-5-methylthiophene,
948015-48-3,
3-((Diphenylmethylene)amino)-5-methylthiophene-2-carbonitrile,
DTXSID40650609,
MFCD09800360,
ZINC16696660,
AS-33399,
AB0072904,
A-2283,
3-(Benzhydrylidene-amino)-5-methyl-thiophene-2-carbonitrile,
3-[(Diphenylmethylidene)amino]-5-methylthiophene-2-carbonitrile,
3-(benzhydrylideneamino)-5-methylthiophene-2-carbonitrile,
|
| Complexity | 418 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.395g/mol |
| Monoisotopic Mass | 302.088g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number