2,4-Dichlorothiazole-5-carboxaldehyde - CAS 92972-48-0
Catalog: |
BB040731 |
Product Name: |
2,4-Dichlorothiazole-5-carboxaldehyde |
CAS: |
92972-48-0 |
Synonyms: |
2,4-dichloro-1,3-thiazole-5-carbaldehyde |
IUPAC Name: | 2,4-dichloro-1,3-thiazole-5-carbaldehyde |
Description: | Used in the synthesis of some novel thiazolidine-2,4-dione derivatives having antimicrobial activity. |
Molecular Weight: | 182.03 |
Molecular Formula: | C4HCl2NOS |
Canonical SMILES: | C(=O)C1=C(N=C(S1)Cl)Cl |
InChI: | InChI=1S/C4HCl2NOS/c5-3-2(1-8)9-4(6)7-3/h1H |
InChI Key: | CFEKBKCGPASOFI-UHFFFAOYSA-N |
Boiling Point: | 307.1 ℃ at 760 mmHg |
Purity: | 97 % |
Density: | 1.69 g/cm3 |
Appearance: | White crystalline powder |
MDL: | MFCD00793013 |
LogP: | 2.26240 |
GHS Hazard Statement: | H301 (88.64%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021100942-A1 | Thienothiazolecarboxamide derivative which is antituberculous compound | 20191122 |
US-10689374-B1 | Pyrimidine-thiazolidinone derivatives | 20190712 |
EP-3504198-A1 | Heterocyclic compounds as immunomodulators | 20160829 |
US-2018057486-A1 | Heterocyclic compounds as immunomodulators | 20160829 |
US-2020172533-A1 | Heterocyclic compounds as immunomodulators | 20160829 |
Complexity: | 123 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.9155902 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.9155902 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 58.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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