2-Amino-5-(methylthio)-1,3,4-thiadiazole - CAS 5319-77-7
Catalog: |
BB028080 |
Product Name: |
2-Amino-5-(methylthio)-1,3,4-thiadiazole |
CAS: |
5319-77-7 |
Synonyms: |
5-methylsulfanyl-1,3,4-thiadiazol-2-amine |
IUPAC Name: | 5-methylsulfanyl-1,3,4-thiadiazol-2-amine |
Description: | 2-Amino-5-(methylthio)-1,3,4-thiadiazole (CAS# 5319-77-7) is an intermediate used in the synthesis of thiadiazole derivatives with potential antidepressant and anxiolytic activity. Also used in the preparation of indole-indolizine glyoxylamides displaying cytotoxicity against MDR cancer cell lines. |
Molecular Weight: | 147.22 |
Molecular Formula: | C3H5N3S2 |
Canonical SMILES: | CSC1=NN=C(S1)N |
InChI: | InChI=1S/C3H5N3S2/c1-7-3-6-5-2(4)8-3/h1H3,(H2,4,5) |
InChI Key: | PCLAZAJARAIGGD-UHFFFAOYSA-N |
Boiling Point: | 318.1 ℃ at 760 mmHg |
Melting Point: | 178-181 ℃ (lit.) |
Purity: | 95 % |
Density: | 1.48 g/cm3 |
Appearance: | Yellowish crystalline powder |
MDL: | MFCD00175752 |
LogP: | 0.77230 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020116972-A1 | Compounds having pde9a inhibitory activity, and pharmaceutical uses thereof | 20181206 |
KR-20200068996-A | Compound for inhibiting PDE9A and medical uses thereof | 20181206 |
CN-113166159-A | Compound with PDE9A inhibitory activity and pharmaceutical use thereof | 20181206 |
EP-3892622-A1 | Compounds having pde9a inhibitory activity, and pharmaceutical uses thereof | 20181206 |
CN-109369637-A | The novel derivative of kojic acid of one kind thiadiazoles containing 1,3,4- and its application | 20181101 |
PMID | Publication Date | Title | Journal |
21577548 | 20090812 | N-(5-Methyl-sulfanyl-1,3,4-thia-diazol-2-yl)acetamide | Acta crystallographica. Section E, Structure reports online |
11300875 | 20010315 | Synthesis of 2-amino-5-sulfanyl-1,3,4-thiadiazole derivatives and evaluation of their antidepressant and anxiolytic activity | Journal of medicinal chemistry |
Complexity: | 78.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 146.99248952 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 146.99248952 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 105 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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