2-Amino-5-trifluoromethyl-1,3,4-thiadiazole - CAS 10444-89-0
Catalog: |
BB001396 |
Product Name: |
2-Amino-5-trifluoromethyl-1,3,4-thiadiazole |
CAS: |
10444-89-0 |
Synonyms: |
5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine |
IUPAC Name: | 5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine |
Description: | 2-Amino-5-trifluoromethyl-1,3,4-thiadiazole (CAS# 10444-89-0) is a useful research chemical. |
Molecular Weight: | 169.13 |
Molecular Formula: | C3H2F3N3S |
Canonical SMILES: | C1(=NN=C(S1)N)C(F)(F)F |
InChI: | InChI=1S/C3H2F3N3S/c4-3(5,6)1-8-9-2(7)10-1/h(H2,7,9) |
InChI Key: | LTEUXHSAYOSFGQ-UHFFFAOYSA-N |
Boiling Point: | 182.2 °C at 760 mmHg |
Melting Point: | 225-227 °C |
Purity: | 95 % |
Density: | 1.672 g/cm3 |
Appearance: | White to off-white crystalline powder |
Storage: | Keep in dark place, Sealed in dry, 2-8 °C |
MDL: | MFCD00003109 |
LogP: | 1.72030 |
GHS Hazard Statement: | H315 (97.83%): 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 |
JP-2020002379-A | Rubber composition and tire | 20191001 |
KR-102090139-B1 | Novel p22phox inhibitor and composition for preventing or treating rheumatoid arthritis comprising the same | 20190430 |
CN-112839714-A | Chromen-4-one derivatives for the treatment and prevention of hepatitis B virus diseases | 20181019 |
CN-110627817-A | Imidazocyclic PAR4 antagonist and medical application thereof | 20180625 |
JP-2018177759-A | Fused heterocyclic compound and pest control agent | 20160810 |
PMID | Publication Date | Title | Journal |
16397341 | 20060101 | 2-Amino-5-trifluoromethyl-1,3,4-thiadiazole and a redetermination of 2-amino-1,3,4-thiadiazole, both at 120 K: chains of edge-fused R(2)(2)(8) and R(4)(4)(10) rings, and sheets of R(2)(2)(8) and R(6)(6)(20) rings | Acta crystallographica. Section C, Crystal structure communications |
Complexity: | 127 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.99215274 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.99215274 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 80 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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