| CAS Number | 90004-25-4 |
| Catalog Number | AG00GVY4(AGN-PC-0WBAJ2) |
| Chemical Name | 5-Thiophen-2-yl-isoxazole-3-carboxylic acid hydrazide |
| IUPAC Name | 5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide |
| InChI | InChI=1S/C8H7N3O2S/c9-10-8(12)5-4-6(13-11-5)7-2-1-3-14-7/h1-4H,9H2,(H,10,12) |
| InChI Key | UONIOLDTDNNOKX-UHFFFAOYSA-N |
| MDL Number | MFCD05861726 |
| Molecular Formula | C8H7N3O2S |
| Molecular Weight | 209.2251 |
| SMILES | NNC(C1=NOC(C2SC=CC=2)=C1)=O |
| Synonyms | 90004-25-4,
5-(thiophen-2-yl)isoxazole-3-carbohydrazide,
5-Thiophen-2-yl-isoxazole-3-carboxylic acid hydrazide,
5-(2-thienyl)-3-isoxazolecarbohydrazide,
5-(thiophen-2-yl)-1,2-oxazole-3-carbohydrazide,
5-THIOPHEN-2-YL-ISOXAZOLE-3-CARBOXYLIC ACIDHYDRAZIDE,
5-(2-thienyl)isoxazole-3-carbohydrazide,
CTK7F0911,
ZINC2554089,
5916AH,
MFCD05861726,
SBB022802,
STK350006,
AKOS000311331,
MCULE-8776009357,
5-Thien-2-ylisoxazole-3-carbohydrazide,
ST45115066,
C8H7N3O2S,
ZINC02554089,
CID7018690,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.223g/mol |
| Monoisotopic Mass | 209.026g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 109A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number