| CAS Number | 851208-08-7 |
| Catalog Number | AG00G3X5(AGN-PC-0WOTGK) |
| Chemical Name | 5-(Piperazin-1-Yl)Thiophene-2-Carbaldehyde |
| IUPAC Name | 5-piperazin-1-ylthiophene-2-carbaldehyde |
| InChI | InChI=1S/C9H12N2OS/c12-7-8-1-2-9(13-8)11-5-3-10-4-6-11/h1-2,7,10H,3-6H2 |
| InChI Key | HWRCNHFGKABYGW-UHFFFAOYSA-N |
| MDL Number | MFCD06375953 |
| Molecular Formula | C9H12N2OS |
| Molecular Weight | 196.2694 |
| SMILES | O=CC1=CC=C(N2CCNCC2)S1 |
| Synonyms | 5-piperazin-1-ylthiophene-2-carbaldehyde,
851208-08-7,
5-(piperazin-1-yl)thiophene-2-carbaldehyde,
5-(piperazin-1-yl)thiophene-2-carboxaldehyde,
AC1Q6PUT,
AC1M798A,
SCHEMBL1432603,
CTK7H9786,
HWRCNHFGKABYGW-UHFFFAOYSA-N,
ZINC3346495,
MFCD06375953,
AKOS008968514,
MCULE-2538886603,
NE28978,
5-(N1-Piperazinyl)thiophene-2-carboxaldehyde,
EN300-10879,
J-517932,
CID2463177,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.268g/mol |
| Monoisotopic Mass | 196.067g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 60.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number