
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 66258-76-2 |
| Catalog No. | 2A-9012029 |
| Chinese Name | 氯噻酮 |
| Synonyms | PSA 181.73000; LogP 0.35520; InChIKey NBXPLBPWMYNZTC-IDYPWDAWSA-N; Synonyms |
| Molecular Formula | C23H29N5O8S |
| Molecular Weight | 535.57 |
| Purity | 99 |
| Boiling Point | 859.5°C at 760 mmHg |
| Water Solubility | Slightly soluble in water, freely soluble in metha |
| SMILES | S1[C@H]2N([C@H](C1(C)C)C(=O)O)C(=O)[C@H]2NC(=O)[C@H](NC(=O)N4CCN(C(=O)C4=O)CC)c3ccccc3.O |
| InChI | 1S/C23H27N5O7S.H2O/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28;/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34);1H2/t13-,14-,15+,20-;/m1./s1 |
| InChI Key | NBXPLBPWMYNZTC-IDYPWDAWSA-N |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| MSDS | msds/12029_1_66258_76_2.pdf |
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