| CAS Number | 1017789-16-0 |
| Catalog Number | AG0005J3(AGN-PC-0WCYLH) |
| Chemical Name | 3-Amino-2-cyano-5-ethylthiophene |
| IUPAC Name | 3-amino-5-ethylthiophene-2-carbonitrile |
| InChI | InChI=1S/C7H8N2S/c1-2-5-3-6(9)7(4-8)10-5/h3H,2,9H2,1H3 |
| InChI Key | PQXPICLTROUJKX-UHFFFAOYSA-N |
| MDL Number | MFCD09991576 |
| Molecular Formula | C7H8N2S |
| Molecular Weight | 152.2168 |
| SMILES | CCC1=CC(N)=C(S1)C#N |
| Synonyms | 3-Amino-2-cyano-5-ethylthiophene,
3-amino-5-ethylthiophene-2-carbonitrile,
1017789-16-0,
FCH879004,
MFCD09991576,
ZINC16696884,
AKOS006312591,
3-Amino-5-ethyl-thiophene-2-carbonitrile,
AS-35956,
2-Thiophenecarbonitrile, 3-amino-5-ethyl-,
AX8266561,
A-2295,
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| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 152.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.215g/mol |
| Monoisotopic Mass | 152.041g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 78A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number