2-Amino-5-(4-bromophenyl)-1,3,4-thiadiazole - CAS 13178-12-6
Catalog: |
BB007494 |
Product Name: |
2-Amino-5-(4-bromophenyl)-1,3,4-thiadiazole |
CAS: |
13178-12-6 |
Synonyms: |
5-(4-bromophenyl)-1,3,4-thiadiazol-2-amine |
IUPAC Name: | 5-(4-bromophenyl)-1,3,4-thiadiazol-2-amine |
Description: | 2-Amino-5-(4-bromophenyl)-1,3,4-thiadiazole (CAS# 13178-12-6) is a useful research chemical. |
Molecular Weight: | 256.12 |
Molecular Formula: | C8H6BrN3S |
Canonical SMILES: | C1=CC(=CC=C1C2=NN=C(S2)N)Br |
InChI: | InChI=1S/C8H6BrN3S/c9-6-3-1-5(2-4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12) |
InChI Key: | KNFZBJVESBZZMI-UHFFFAOYSA-N |
Boiling Point: | 401.1 ℃ at 760 mmHg |
Melting Point: | 228-232 ℃ (lit.) |
Purity: | 95 % |
Density: | 1.717 g/cm3 |
Appearance: | White to brown powder, crystals, crystalline powder and/or chunks |
Storage: | Sealed in dry, 2-8 ℃ |
MDL: | MFCD00469706 |
LogP: | 3.13100 |
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 |
CN-112279845-A | Aryl or heteroaryl substituted thiadiazole compounds and antibacterial application thereof | 20190724 |
EP-2514754-A1 | 6,7-dihydro-[1,3,4]thiadiazolo-[3,2-a][1,3]diazepin derivatives and pharmaceutical composition containing the same as neuromuscular blocker or skeletal muscle relaxant, and method for the preparation | 20110408 |
EP-2514754-B1 | 6,7-dihydro-[1,3,4]thiadiazolo-[3,2-a][1,3]diazepin derivatives and pharmaceutical composition containing the same as neuromuscular blocker or skeletal muscle relaxant, and method for the preparation | 20110408 |
US-2014088091-A1 | 6,7-DIHYDRO-[1,3,4]THIADIAZOLO-[3,2-a][1,3]DIAZEPIN DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AS NEUROMUSCULAR BLOCKER OR SKELETAL MUSCLE RELAXANT, AND METHOD FOR THE PREPARATION | 20110408 |
US-8846665-B2 | 6,7-dihydro-[1,3,4]thiadiazolo-[3,2-a][1,3]diazepin derivative and pharmaceutical composition containing the same as neuromuscular blocker or skeletal muscle relaxant, and method for the preparation | 20110408 |
PMID | Publication Date | Title | Journal |
21581930 | 20090117 | 2-Benzoyl-amino-N-[5-(4-bromo-phen-yl)-1,3,4-thia-diazol-2-yl]ethanamide | Acta crystallographica. Section E, Structure reports online |
Complexity: | 173 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 254.94658 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 254.94658 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 80 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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