| CAS Number | 1314902-85-6 |
| Catalog Number | AG000WAS(AGN-PC-01ZJ28) |
| Chemical Name | 1H-Pyrazole-5-carbothioamide |
| IUPAC Name | 1H-pyrazole-5-carbothioamide |
| InChI | InChI=1S/C4H5N3S/c5-4(8)3-1-2-6-7-3/h1-2H,(H2,5,8)(H,6,7) |
| InChI Key | HQGBNXIKIHVWIR-UHFFFAOYSA-N |
| MDL Number | MFCD05662460 |
| Molecular Formula | C4H5N3S |
| Molecular Weight | 127.1676 |
| SMILES | S=C(C1=CC=NN1)N |
| Synonyms | 1H-PYRAZOLE-5-CARBOTHIOAMIDE,
1314902-85-6,
1h-pyrazole-3-carbothioamide,
2H-PYRAZOLE-3-CARBOTHIOIC ACID AMIDE,
pyrazolecarbothioamide,
SCHEMBL2732306,
CTK8E3255,
DTXSID60595427,
ZINC2546142,
MFCD05662460,
AKOS005258627,
AKOS006339522,
AB21758,
AJ-39364,
TX-015954,
Y5736,
C-1619,
F9994-5225,
C4H5N3S,
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| Complexity | 104 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 127.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 127.165g/mol |
| Monoisotopic Mass | 127.02g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 86.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number