| CAS Number | 93554-88-2 |
| Catalog Number | AG00VSWA(AGN-PC-0W34UQ) |
| Chemical Name | 2-Amino-2-(thiophen-2-yl)acetonitrile hydrochloride |
| IUPAC Name | 2-amino-2-thiophen-2-ylacetonitrile;hydrochloride |
| InChI | InChI=1S/C6H6N2S.ClH/c7-4-5(8)6-2-1-3-9-6;/h1-3,5H,8H2;1H |
| InChI Key | UOIZKXFGSDAHOW-UHFFFAOYSA-N |
| MDL Number | MFCD11505497 |
| Molecular Formula | C6H7ClN2S |
| Molecular Weight | 174.6512 |
| SMILES | Cl.NC(C1SC=CC=1)C#N |
| Synonyms | 93554-88-2,
2-amino-2-(thiophen-2-yl)acetonitrile hydrochloride,
amino(thien-2-yl)acetonitrile hydrochloride,
amino-thiophen-2-yl-acetonitrile hydrochloride,
AC1Q3CT8,
SCHEMBL7379082,
CTK7C5346,
UOIZKXFGSDAHOW-UHFFFAOYSA-N,
AKOS015948018,
MCULE-1677199571,
EN300-39656,
|
| Complexity | 137 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.646g/mol |
| Monoisotopic Mass | 174.002g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 78A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number