3-Chloro-4-morpholin-4-yl-1,2,5-thiadiazole - CAS 30165-96-9
Catalog: |
BB020475 |
Product Name: |
3-Chloro-4-morpholin-4-yl-1,2,5-thiadiazole |
CAS: |
30165-96-9 |
Synonyms: |
4-(4-chloro-1,2,5-thiadiazol-3-yl)morpholine |
IUPAC Name: | 4-(4-chloro-1,2,5-thiadiazol-3-yl)morpholine |
Description: | 3-Chloro-4-morpholin-4-yl-1,2,5-thiadiazole (CAS# 30165-96-9) is an intermediate for the synthesis of Timolol. |
Molecular Weight: | 205.67 |
Molecular Formula: | C6H8ClN3OS |
Canonical SMILES: | C1COCCN1C2=NSN=C2Cl |
InChI: | InChI=1S/C6H8ClN3OS/c7-5-6(9-12-8-5)10-1-3-11-4-2-10/h1-4H2 |
InChI Key: | LAUCCQWGVCJGFT-UHFFFAOYSA-N |
Boiling Point: | 307.8 °C at 760 mmHg |
Density: | 1.462 g/cm3 |
Appearance: | White powder |
MDL: | MFCD00274160 |
LogP: | 1.09310 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019131922-A1 | Aryloxy compound | 20171227 |
JP-2021042126-A | Aryloxy compound | 20171227 |
JP-2018016725-A | Silicone grease composition | 20160728 |
CN-109071523-A | A kind of carbamide compounds, preparation method and its medical usage | 20160311 |
EP-3424924-A1 | Urea compound, preparation method therefor and medical use thereof | 20160311 |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.0076608 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.0076608 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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