| CAS Number | 27337-28-6 |
| Catalog Number | AG01BDA0(AGN-PC-0NIVY2) |
| Chemical Name | 3-Methoxyisothiazole |
| IUPAC Name | 3-methoxy-1,2-thiazole |
| InChI | InChI=1S/C4H5NOS/c1-6-4-2-3-7-5-4/h2-3H,1H3 |
| InChI Key | HZAFQFFHXOLHFO-UHFFFAOYSA-N |
| MDL Number | MFCD11557154 |
| Molecular Formula | C4H5NOS |
| Molecular Weight | 115.1536 |
| SMILES | COC1=NSC=C1 |
| Synonyms | 3-methoxyisothiazole,
3-Methoxy-1,2-thiazole,
27337-28-6,
Isothiazole, 3-methoxy-,
SCHEMBL6057118,
CTK0J2678,
DTXSID00496101,
HZAFQFFHXOLHFO-UHFFFAOYSA-N,
ZINC26506541,
AKOS006318817,
Z1859,
Z2350943002,
C4H5NOS,
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| Complexity | 59.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 115.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 115.15g/mol |
| Monoisotopic Mass | 115.009g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number