2-Bromo-1,3,4-thiadiazole - CAS 61929-24-6
Catalog: |
BB031335 |
Product Name: |
2-Bromo-1,3,4-thiadiazole |
CAS: |
61929-24-6 |
Synonyms: |
2-bromo-1,3,4-thiadiazole |
IUPAC Name: | 2-bromo-1,3,4-thiadiazole |
Description: | 2-Bromo-1,3,4-thiadiazole (CAS# 61929-24-6) is a useful research chemical used in the preparation of Menin-MLL inhibitors. |
Molecular Weight: | 165.01 |
Molecular Formula: | C2HBrN2S |
Canonical SMILES: | C1=NN=C(S1)Br |
InChI: | InChI=1S/C2HBrN2S/c3-2-5-4-1-6-2/h1H |
InChI Key: | DQBCRVIBTFHJLM-UHFFFAOYSA-N |
Boiling Point: | 214.311 ℃ at 760 mmHg |
Melting Point: | 70-73 ℃ |
Purity: | 96 % |
Density: | 2.024 g/cm3 |
Appearance: | Solid |
MDL: | MFCD04115375 |
LogP: | 1.30060 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P302+P352, P321, P330, P332+P313, P362, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111995548-A | Preparation method of cyano tertiary amine | 20200825 |
WO-2021145401-A1 | Spiroheterocyclic derivatives as crhr2 antagonist | 20200115 |
US-2021130365-A1 | 2-azaspiro[3.4]octane derivatives as m4 agonists | 20191009 |
US-2021107889-A1 | 2-azaspiro[3.4]octane derivatives as m4 agonists | 20191009 |
WO-2021070090-A1 | 2-azaspiro[3.4]octane derivatives as m4 agonists | 20191009 |
Complexity: | 50.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.90438 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.90438 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 54 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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