| CAS Number | 38244-31-4 |
| Catalog Number | AG019YT2 |
| Chemical Name | 5-Chloro-2-sulfanylbenzonitrile |
| IUPAC Name | 5-chloro-2-sulfanylbenzonitrile |
| InChI | InChI=1S/C7H4ClNS/c8-6-1-2-7(10)5(3-6)4-9/h1-3,10H |
| InChI Key | RAJVMVYZMSFNIC-UHFFFAOYSA-N |
| MDL Number | MFCD12756632 |
| Molecular Formula | C7H4ClNS |
| Molecular Weight | 169.6314 |
| SMILES | SC1=C(C#N)C=C(Cl)C=C1 |
| Synonyms | 5-chloro-2-sulfanylbenzonitrile,
38244-31-4,
SCHEMBL14852044,
ZINC52856082,
AKOS011784318,
5-CHLORO-2-MERCAPTOBENZONITRILE,
NE29961,
|
| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.626g/mol |
| Monoisotopic Mass | 168.975g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 24.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number