| CAS Number | 469872-10-4 |
| Catalog Number | AG01EJRK(AGN-PC-0WO0GO) |
| Chemical Name | 3-amino-2-(2-amino-1,3-thiazol-4-yl)but-2-enenitrile |
| IUPAC Name | (E)-3-amino-2-(2-amino-1,3-thiazol-4-yl)but-2-enenitrile |
| InChI | InChI=1S/C7H8N4S/c1-4(9)5(2-8)6-3-12-7(10)11-6/h3H,9H2,1H3,(H2,10,11)/b5-4- |
| InChI Key | NGTNUCOMPUMJKP-PLNGDYQASA-N |
| MDL Number | MFCD02360473 |
| Molecular Formula | C7H8N4S |
| Molecular Weight | 180.2302 |
| SMILES | CC(N)=C(C1N=C(N)SC=1)C#N |
| Synonyms | 3-amino-2-(2-amino-1,3-thiazol-4-yl)but-2-enenitrile,
(2E)-3-amino-2-(2-amino-1,3-thiazol-4-yl)but-2-enenitrile,
469872-10-4,
ZINC18140967,
AKOS002349143,
NE61931,
EN300-24749,
F3097-2850,
AC1Q2A2I,
CID1186081,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 180.046967g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.23g/mol |
| Monoisotopic Mass | 180.046967g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 117Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number