2-Bromo-4-tert-butylthiazole - CAS 873075-54-8
Catalog: |
BB038369 |
Product Name: |
2-Bromo-4-tert-butylthiazole |
CAS: |
873075-54-8 |
Synonyms: |
2-bromo-4-tert-butyl-1,3-thiazole |
IUPAC Name: | 2-bromo-4-tert-butyl-1,3-thiazole |
Description: | 2-Bromo-4-tert-butylthiazole (CAS# 873075-54-8) is a useful research chemical. |
Molecular Weight: | 220.13 |
Molecular Formula: | C7H10BrNS |
Canonical SMILES: | CC(C)(C)C1=CSC(=N1)Br |
InChI: | InChI=1S/C7H10BrNS/c1-7(2,3)5-4-10-6(8)9-5/h4H,1-3H3 |
InChI Key: | ILKZEOZQPGBUCV-UHFFFAOYSA-N |
MDL: | MFCD09965543 |
LogP: | 3.20310 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020325142-A1 | Heterocyclic compounds and uses thereof | 20190409 |
WO-2020210375-A1 | Heterocyclic compounds and uses thereof | 20190409 |
WO-2020210380-A1 | Heterocyclic compounds and uses thereof | 20190409 |
WO-2020203609-A1 | Use of t-type calcium channel blocker for treating pruritus | 20190329 |
WO-2020203610-A1 | Use of t-type calcium channel blocker for treating rheumatoid arthritis | 20190329 |
Complexity: | 121 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.97173 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.97173 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 41.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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Oxazole/Thiazole
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