| CAS Number | 364596-21-4 |
| Catalog Number | AG00I781(AGN-PC-0WQVLE) |
| Chemical Name | 2-Amino-5-benzylthiophene-3-carbonitrile |
| IUPAC Name | 2-amino-5-benzylthiophene-3-carbonitrile |
| InChI | InChI=1S/C12H10N2S/c13-8-10-7-11(15-12(10)14)6-9-4-2-1-3-5-9/h1-5,7H,6,14H2 |
| InChI Key | JDJHEJKTLUMKAE-UHFFFAOYSA-N |
| MDL Number | MFCD01857229 |
| Molecular Formula | C12H10N2S |
| Molecular Weight | 214.2862 |
| SMILES | NC=1SC(=CC1C#N)CC1=CC=CC=C1 |
| Synonyms | 2-amino-5-benzylthiophene-3-carbonitrile,
364596-21-4,
AS-54791,
2-amino-5-benzyl-thiophene-3-carbonitrile,
CS-0035511,
Oprea1_362467,
SCHEMBL3301918,
JDJHEJKTLUMKAE-UHFFFAOYSA-N,
MFCD01857229,
STK086125,
ZINC27843114,
AKOS012177945,
5-Benzyl-2-aminothiophene-3-carbonitrile,
|
| Complexity | 252 |
| 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 | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.286g/mol |
| Monoisotopic Mass | 214.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number