2-Amino-5-tert-butyl-1,3,4-thiadiazole - CAS 39222-73-6
Catalog: |
BB023892 |
Product Name: |
2-Amino-5-tert-butyl-1,3,4-thiadiazole |
CAS: |
39222-73-6 |
Synonyms: |
5-tert-butyl-1,3,4-thiadiazol-2-amine |
IUPAC Name: | 5-tert-butyl-1,3,4-thiadiazol-2-amine |
Description: | Intermediate in the production on Buthidazole. |
Molecular Weight: | 157.24 |
Molecular Formula: | C6H11N3S |
Canonical SMILES: | CC(C)(C)C1=NN=C(S1)N |
InChI: | InChI=1S/C6H11N3S/c1-6(2,3)4-8-9-5(7)10-4/h1-3H3,(H2,7,9) |
InChI Key: | ICXDPEFCLDSXLI-UHFFFAOYSA-N |
Boiling Point: | 272.3 ℃ at 760 mmHg |
Density: | 1.17 g/cm3 |
Appearance: | Yellow crystalline solid |
MDL: | MFCD00040403 |
LogP: | 1.99900 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P301+P312, P304+P312, P304+P340, P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110372634-B | Method for synthesizing 2-methylamino-5-tert-butyl-1, 3, 4-thiadiazole | 20190729 |
WO-2021013712-A1 | Polyaromatic urea derivatives and their use in the treatment of muscle diseases | 20190719 |
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 |
Complexity: | 121 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.06736854 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.06736854 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 80 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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