5-Amino-4-bromo-3-methylisothiazole - CAS 85508-99-2
Catalog: |
BB037639 |
Product Name: |
5-Amino-4-bromo-3-methylisothiazole |
CAS: |
85508-99-2 |
Synonyms: |
4-bromo-3-methyl-1,2-thiazol-5-amine |
IUPAC Name: | 4-bromo-3-methyl-1,2-thiazol-5-amine |
Description: | 5-Amino-4-bromo-3-methylisothiazole (CAS# 85508-99-2) is a useful research chemical. |
Molecular Weight: | 193.06 |
Molecular Formula: | C4H5BrN2S |
Canonical SMILES: | CC1=NSC(=C1Br)N |
InChI: | InChI=1S/C4H5BrN2S/c1-2-3(5)4(6)8-7-2/h6H2,1H3 |
InChI Key: | IICJMPBBIYDDKJ-UHFFFAOYSA-N |
Boiling Point: | 154.5 ℃ at 760 mmHg |
Density: | 1.806 g/cm3 |
LogP: | 2.37740 |
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, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020144638-A1 | Dihydroorotate dehydrogenase inhibitors | 20190111 |
TW-202043208-A | Dihydroorotate dehydrogenase inhibitors | 20190111 |
KR-20210114968-A | dihydroorotate dehydrogenase inhibitor | 20190111 |
CN-109867666-B | Aromatic acetamide compound containing isothiazole ring and application thereof | 20171202 |
US-2017044146-A1 | Gpr40 agonists for the treatment of type ii diabetes | 20150812 |
Complexity: | 90.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.93568 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.93568 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 67.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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