| CAS Number | 1305712-05-3 |
| Catalog Number | AG01ABG3(AGN-PC-0WO822) |
| Chemical Name | 2-Phenyl-1,3-thiazole-4-sulfonyl Chloride |
| IUPAC Name | 2-phenyl-1,3-thiazole-4-sulfonyl chloride |
| InChI | InChI=1S/C9H6ClNO2S2/c10-15(12,13)8-6-14-9(11-8)7-4-2-1-3-5-7/h1-6H |
| InChI Key | VZEAPYOMDBBPGZ-UHFFFAOYSA-N |
| MDL Number | MFCD18089394 |
| Molecular Formula | C9H6ClNO2S2 |
| Molecular Weight | 259.7324 |
| SMILES | C1(=CC=CC=C1)C=1SC=C(N1)S(=O)(=O)Cl |
| Synonyms | 2-phenyl-1,3-thiazole-4-sulfonyl chloride,
1305712-05-3,
2-Phenylthiazole-4-sulfonyl chloride,
AC1Q3VNE,
AKOS026728706,
ZINC100623448,
EN300-71519,
|
| Complexity | 309 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.953g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.722g/mol |
| Monoisotopic Mass | 258.953g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 83.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
Lot Number