| CAS Number | 323588-81-4 |
| Catalog Number | AG00CKAG(AGN-PC-0217R5) |
| Chemical Name | 2-chloro-5-isothiocyanatopyridine |
| IUPAC Name | 2-chloro-5-isothiocyanatopyridine |
| InChI | InChI=1S/C6H3ClN2S/c7-6-2-1-5(3-8-6)9-4-10/h1-3H |
| InChI Key | APGZUQNKMJHXSH-UHFFFAOYSA-N |
| MDL Number | MFCD16622177 |
| Molecular Formula | C6H3ClN2S |
| Molecular Weight | 170.6194 |
| SMILES | S=C=NC1=CN=C(Cl)C=C1 |
| Synonyms | 2-chloro-5-isothiocyanatopyridine,
323588-81-4,
Pyridine, 2-chloro-5-isothiocyanato-,
AC1Q3KT5,
SCHEMBL2780940,
APGZUQNKMJHXSH-UHFFFAOYSA-N,
ZINC57218454,
AKOS026727593,
NE21166,
EN300-65705,
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| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.614g/mol |
| Monoisotopic Mass | 169.971g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number