2-Amino-5-methyl-1,3,4-thiadiazole - CAS 108-33-8
Catalog: |
BB002255 |
Product Name: |
2-Amino-5-methyl-1,3,4-thiadiazole |
CAS: |
108-33-8 |
Synonyms: |
5-methyl-1,3,4-thiadiazol-2-amine |
IUPAC Name: | 5-methyl-1,3,4-thiadiazol-2-amine |
Description: | 2-Amino-5-methyl-1,3,4-thiadiazole was used as a reagent in the synthesis of substituted 5H-benzo[i][1,3,4]thiadiazolo[3,2-a]quinazoline-6,7-diones which diplayed good cytotoxic activities. Also used in the design of new phenothiazine-thiadiazole hybrids for development of antitubercular agents. |
Molecular Weight: | 115.16 |
Molecular Formula: | C3H5N3S |
Canonical SMILES: | CC1=NN=C(S1)N |
InChI: | InChI=1S/C3H5N3S/c1-2-5-6-3(4)7-2/h1H3,(H2,4,6) |
InChI Key: | HMPUHXCGUHDVBI-UHFFFAOYSA-N |
Boiling Point: | 261.2 ℃ at 760 mmHg |
Melting Point: | 220-225 ℃ |
Purity: | 95 % |
Density: | 1.372 g/cm3 |
Solubility: | >17.3 [ug/mL] (The mean of the results at pH 7.4) |
Appearance: | White powder. |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00003110 |
LogP: | 1.00990 |
GHS Hazard Statement: | H302 (97.67%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113364495-A | Multi-unmanned aerial vehicle track and intelligent reflecting surface phase shift joint optimization method and system | 20210525 |
CN-112047849-A | Preparation method of aminomethylbenzoic acid | 20200904 |
US-2021188874-A1 | Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use | 20191125 |
US-2021221824-A1 | Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use | 20191125 |
KR-20210061298-A | Method and apparatus for image processing and perceptual qualitty enhancement based on perceptual characteristic | 20191119 |
PMID | Publication Date | Title | Journal |
22719326 | 20120601 | Bis(2-amino-5-methyl-1,3,4-thia-diazole-κN(3))dichloridocobalt(II) | Acta crystallographica. Section E, Structure reports online |
21126022 | 20110113 | Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase | Journal of medicinal chemistry |
21044846 | 20101201 | Acetazolamide-based fungal chitinase inhibitors | Bioorganic & medicinal chemistry |
18337107 | 20080415 | Synthesis and antioxidant properties of novel N-methyl-1,3,4-thiadiazol-2-amine and 4-methyl-2H-1,2,4-triazole-3(4H)-thione derivatives of benzimidazole class | Bioorganic & medicinal chemistry |
11600785 | 20011001 | 2-Amino-5-methyl-1,3,4-thiadiazole and 2-amino-5-ethyl-1,3,4-thiadiazole | Acta crystallographica. Section C, Crystal structure communications |
Complexity: | 67.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 115.02041835 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 115.02041835 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 80 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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