| CAS Number | 1343356-34-2 |
| Catalog Number | AG01AMCI |
| Chemical Name | 2-amino-4,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| IUPAC Name | 2-amino-4,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| InChI | InChI=1S/C11H14N2S/c1-6-3-4-9-10(7(6)2)8(5-12)11(13)14-9/h6-7H,3-4,13H2,1-2H3 |
| InChI Key | DHTPZYJOIMPIQC-UHFFFAOYSA-N |
| MDL Number | MFCD20408781 |
| Molecular Formula | C11H14N2S |
| Molecular Weight | 206.3073 |
| SMILES | CC1C(C)C2=C(SC(=C2C#N)N)CC1 |
| Synonyms | 2-amino-4,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile,
1343356-34-2,
AKOS014102475,
FCH5121005,
BBV-39211399,
EN300-223924,
Z2216314135,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.307g/mol |
| Monoisotopic Mass | 206.088g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 78A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
Lot Number