| CAS Number | 37488-45-2 |
| Catalog Number | AG00I7DW(AGN-PC-00N6ZK) |
| Chemical Name | 1H-Pyrrole-2-carbothioamide |
| IUPAC Name | 1H-pyrrole-2-carbothioamide |
| InChI | InChI=1S/C5H6N2S/c6-5(8)4-2-1-3-7-4/h1-3,7H,(H2,6,8) |
| InChI Key | KJEMJZMJDZLKRH-UHFFFAOYSA-N |
| MDL Number | MFCD00123524 |
| Molecular Formula | C5H6N2S |
| Molecular Weight | 126.1795 |
| SMILES | N1C(=CC=C1)C(N)=S |
| Synonyms | 1H-Pyrrole-2-carbothioamide,
1H-Pyrrole-2-carbothioamide,
Pyrrole-2-thiocarboxamide,
37488-45-2,
MFCD00123524,
Pyrrole-2-carbothioamide,
SCHEMBL79088,
KJEMJZMJDZLKRH-UHFFFAOYSA-N,
1H-Pyrrole-2-carbothioicacid;Amide,
ZINC2581835,
AKOS004902945,
Pyrrole-2-thiocarboxamide, AldrichCPR,
|
| Complexity | 103 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 126.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 126.177g/mol |
| Monoisotopic Mass | 126.025g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 73.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number