| CAS Number | 1152604-80-2 |
| Catalog Number | AG019W1K |
| Chemical Name | 4-bromothiophene-2-carbothioamide |
| IUPAC Name | 4-bromothiophene-2-carbothioamide |
| InChI | InChI=1S/C5H4BrNS2/c6-3-1-4(5(7)8)9-2-3/h1-2H,(H2,7,8) |
| InChI Key | NCTSBNPWZRWXBI-UHFFFAOYSA-N |
| MDL Number | MFCD11102963 |
| Molecular Formula | C5H4BrNS2 |
| Molecular Weight | 222.1260 |
| SMILES | NC(C1SC=C(Br)C=1)=S |
| Synonyms | 4-bromothiophene-2-carbothioamide,
1152604-80-2,
AC1Q4ZYO,
CTK7D3814,
ZINC34961463,
NE14903,
EN300-50162,
|
| Complexity | 128 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.897g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.118g/mol |
| Monoisotopic Mass | 220.897g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 86.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number