| CAS Number | 88497-62-5 |
| Catalog Number | AG00IF43(AGN-PC-071345) |
| Chemical Name | Pyridazine-3-carbothioamide |
| IUPAC Name | pyridazine-3-carbothioamide |
| InChI | InChI=1S/C5H5N3S/c6-5(9)4-2-1-3-7-8-4/h1-3H,(H2,6,9) |
| InChI Key | UNTFFYYIGIRBML-UHFFFAOYSA-N |
| MDL Number | MFCD11869742 |
| Molecular Formula | C5H5N3S |
| Molecular Weight | 139.1783 |
| SMILES | NC(C1=NN=CC=C1)=S |
| Synonyms | Pyridazine-3-carbothioamide,
88497-62-5,
Pyridazine-3-thiocarboxamide,
pyridazine-3-thioamide,
3-Pyridazinecarbothioamide,
CTK7D3847,
DTXSID00657093,
4151AC,
MFCD11869742,
ZINC36533232,
AKOS006346569,
AJ-93145,
AS-50345,
C5H5N3S,
|
| Complexity | 115 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 139.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 139.176g/mol |
| Monoisotopic Mass | 139.02g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 83.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number