HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 5927770Generated: October 31, 2026
Methyl (2Z)-2-{[5-(4-chlorophenyl)-2-furyl]methylene}-5-[4-(methoxycarbonyl)phe nyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carb oxylate
https://huagongshe.com/en/chemical/5927770
Identifiers & Physical Properties
| CAS No. | 609794-97-0 |
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| Molecular formula | C28H21ClN2O6S |
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| Average molar mass | 549 g/mol |
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| Monoisotopic mass | 548.0808853 g/mol |
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| SMILES | COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4)o3)c(=O)n2C1c1ccc(C(=O)OC)cc1 |
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| InChIKey | TTXYQAFFKFBQMO-HMAPJEAMSA-N |
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| PubChem CID | 5927770 |
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| EC No. | 645-811-6 |
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Chemical & Physical Properties
| XLogP | 5.3 |
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| Topological polar surface area | 124 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 8 |
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| Rotatable bonds | 7 |
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| Heavy atoms | 38 |
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| Formal charge | 0 |
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| Complexity | 1,060 |
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Safety & Regulations
| GHS classification | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 3 (100%) |
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![Methyl (2Z)-2-{[5-(4-chlorophenyl)-2-furyl]methylene}-5-[4-(methoxycarbonyl)phe nyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carb oxylate molecular structure](/img/chemical/5927770.png)