| CAS Number | 25039-53-6 |
| Catalog Number | AG002Q9N(AGN-PC-02UPSF) |
| Chemical Name | 4-Chloroisothiazole |
| IUPAC Name | 4-chloro-1,2-thiazole |
| InChI | InChI=1S/C3H2ClNS/c4-3-1-5-6-2-3/h1-2H |
| InChI Key | YHRSRHKHEVJSBL-UHFFFAOYSA-N |
| MDL Number | MFCD17677238 |
| Molecular Formula | C3H2ClNS |
| Molecular Weight | 119.5727 |
| SMILES | ClC1=CSN=C1 |
| Synonyms | 4-chloroisothiazole,
25039-53-6,
Isothiazole, 4-chloro-,
SCHEMBL4027140,
MFCD17677238,
ACN-045361,
CS-0062262,
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| Complexity | 50.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 118.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 6 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 119.566g/mol |
| Monoisotopic Mass | 118.96g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number