| CAS Number | 19580-45-1 |
| Catalog Number | AG019OH3 |
| Chemical Name | 5-(3-chloropropyl)-3-(thiophen-2-yl)-1,2,4-oxadiazole |
| IUPAC Name | 5-(3-chloropropyl)-3-thiophen-2-yl-1,2,4-oxadiazole |
| InChI | InChI=1S/C9H9ClN2OS/c10-5-1-4-8-11-9(12-13-8)7-3-2-6-14-7/h2-3,6H,1,4-5H2 |
| InChI Key | QOPNCXIRVQGVFL-UHFFFAOYSA-N |
| MDL Number | MFCD07324039 |
| Molecular Formula | C9H9ClN2OS |
| Molecular Weight | 228.6986 |
| SMILES | ClCCCC1ON=C(C2SC=CC=2)N=1 |
| Synonyms | 5-(3-chloropropyl)-3-(thiophen-2-yl)-1,2,4-oxadiazole,
19580-45-1,
5-(3-chloropropyl)-3-thien-2-yl-1,2,4-oxadiazole,
AC1NLR4R,
AC1Q3UL8,
CTK6H7821,
ZINC4207217,
AKOS009016159,
MCULE-5062078992,
NE46629,
EN300-13999,
Z94599906,
5-(3-chloropropyl)-3-thiophen-2-yl-1,2,4-oxadiazole,
ZINC04207217,
CID4962776,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.694g/mol |
| Monoisotopic Mass | 228.012g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number