| CAS Number | 3335-22-6 |
| Catalog Number | AG01E70O(AGN-PC-0MZA07) |
| Chemical Name | Benzenecarbothioyl chloride |
| IUPAC Name | benzenecarbothioyl chloride |
| InChI | InChI=1S/C7H5ClS/c8-7(9)6-4-2-1-3-5-6/h1-5H |
| InChI Key | MNUYNGXMQRGJSJ-UHFFFAOYSA-N |
| MDL Number | MFCD00005428 |
| Molecular Formula | C7H5ClS |
| Molecular Weight | 156.6326 |
| SMILES | ClC(C1=CC=CC=C1)=S |
| Synonyms | benzenecarbothioyl chloride,
thiobenzoyl chloride,
2-thiophenoyl chloride,
3335-22-6,
Thiobenzoylchlorid,
SCHEMBL2403530,
ZINC34278574,
Not Available,
CID10130081,
5271-67-0,
|
| Complexity | 106 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 155.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.627g/mol |
| Monoisotopic Mass | 155.98g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number