5-(5-Bromo-2-thienyl)-1H-tetrazole solution - CAS 211943-12-3
Catalog: |
BB016679 |
Product Name: |
5-(5-Bromo-2-thienyl)-1H-tetrazole solution |
CAS: |
211943-12-3 |
Synonyms: |
5-(5-bromothiophen-2-yl)-2H-tetrazole |
IUPAC Name: | 5-(5-bromothiophen-2-yl)-2H-tetrazole |
Description: | 5-(5-Bromo-2-thienyl)-1H-tetrazole solution (CAS# 211943-12-3) is a useful research chemical. |
Molecular Weight: | 231.07 |
Molecular Formula: | C5H3BrN4S |
Canonical SMILES: | C1=C(SC(=C1)Br)C2=NNN=N2 |
InChI: | InChI=1S/C5H3BrN4S/c6-4-2-1-3(11-4)5-7-9-10-8-5/h1-2H,(H,7,8,9,10) |
InChI Key: | GJHHXCMGAACACG-UHFFFAOYSA-N |
Boiling Point: | 157-158 °C |
Density: | 1.952 g/cm3 |
Solubility: | Insoluble in water |
Appearance: | Cream crystalline powder |
MDL: | MFCD01075734 |
LogP: | 1.69070 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020161375-A2 | Method for obtaining glycoconjugates | 20190204 |
EP-2461811-A1 | Macrocyclic serine protease inhibitors useful against viral infections, particularly hcv | 20090805 |
US-2011129443-A1 | Macrocyclic serine protease inhibitors | 20090805 |
WO-2011017389-A1 | Macrocyclic serine protease inhibitors useful against viral infections, particularly hcv | 20090805 |
EP-2417134-A1 | Macrocyclic serine protease inhibitors | 20090408 |
Complexity: | 146 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.92618 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.92618 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 82.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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