| CAS Number | 89502-07-8 |
| Catalog Number | AG0087NT(AGN-PC-003NLU) |
| Chemical Name | Methyl 5-(chlorosulfonyl)thiazole-4-carboxylate |
| IUPAC Name | methyl 5-chlorosulfonyl-1,3-thiazole-4-carboxylate |
| InChI | InChI=1S/C5H4ClNO4S2/c1-11-4(8)3-5(12-2-7-3)13(6,9)10/h2H,1H3 |
| InChI Key | MUCZBASPBXHGJA-UHFFFAOYSA-N |
| MDL Number | MFCD19201120 |
| Molecular Formula | C5H4ClNO4S2 |
| Molecular Weight | 241.6726 |
| SMILES | COC(C1=C(S(Cl)(=O)=O)SC=N1)=O |
| Synonyms | 89502-07-8,
methyl 5-(chlorosulfonyl)-1,3-thiazole-4-carboxylate,
4-Thiazolecarboxylic acid, 5-(chlorosulfonyl)-, methyl ester,
ACMC-20lmu1,
methyl 5-(chlorosulfonyl)thiazole-4-carboxylate,
SCHEMBL9364886,
CTK2J4997,
DTXSID40567889,
MUCZBASPBXHGJA-UHFFFAOYSA-N,
AKOS006334012,
ZINC100480337,
NE19733,
EN300-78798,
methyl 5-(chlorosulfonyl)-4-thiazolecarboxylate,
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| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.927g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.66g/mol |
| Monoisotopic Mass | 240.927g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number