2-Amino-5-propyl-1,3,4-thiadiazole - CAS 39223-04-6
Catalog: |
BB023893 |
Product Name: |
2-Amino-5-propyl-1,3,4-thiadiazole |
CAS: |
39223-04-6 |
Synonyms: |
5-propyl-1,3,4-thiadiazol-2-amine; 5-propyl-1,3,4-thiadiazol-2-amine |
IUPAC Name: | 5-propyl-1,3,4-thiadiazol-2-amine |
Description: | 2-Amino-5-propyl-1,3,4-thiadiazole (CAS# 39223-04-6) is a useful research chemical. |
Molecular Weight: | 143.21 |
Molecular Formula: | C5H9N3S |
Canonical SMILES: | CCCC1=NN=C(S1)N |
InChI: | InChI=1S/C5H9N3S/c1-2-3-4-7-8-5(6)9-4/h2-3H2,1H3,(H2,6,8) |
InChI Key: | NLQURINLKRAGIF-UHFFFAOYSA-N |
Boiling Point: | 277.2 °C at 760 mmHg |
Density: | 1.224 g/cm3 |
MDL: | MFCD00466387 |
LogP: | 1.65400 |
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-110294781-A | One kind Schiff of thiadiazolyl group containing ferrocenyl and preparation method thereof | 20190725 |
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 |
EP-3892622-A1 | Compounds having pde9a inhibitory activity, and pharmaceutical uses thereof | 20181206 |
TW-201927778-A | Cyclohexyl acid triazoles as LPA antagonists | 20171219 |
PMID | Publication Date | Title | Journal |
21201441 | 20080109 | N-[(3-Methyl-5-phen-oxy-1-phenyl-pyrazol-4-yl)carbon-yl]-N'-(5-propyl-1,3,4-thia-diazol-2-yl)thio-urea | Acta crystallographica. Section E, Structure reports online |
Complexity: | 88.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 143.05171847 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 143.05171847 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 80 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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