4-Cyclopropyl-5-ethyl-4H-1,2,4-triazole-3-thiol - CAS 886494-06-0
Catalog: |
BB048480 |
Product Name: |
4-Cyclopropyl-5-ethyl-4H-1,2,4-triazole-3-thiol |
CAS: |
886494-06-0 |
Synonyms: |
4-Cyclopropyl-5-ethyl-4H-[1,2,4]triazole-3-thiol; 4-cyclopropyl-5-ethyl-1,2,4-triazole-3-thiol; 4-Cyclopropyl-5-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione |
IUPAC Name: | 4-cyclopropyl-3-ethyl-1H-1,2,4-triazole-5-thione |
Description: | 4-Cyclopropyl-5-ethyl-4H-1,2,4-triazole-3-thiol (CAS# 886494-06-0 ) is a useful research chemical. |
Molecular Weight: | 169.25 |
Molecular Formula: | C7H11N3S |
Canonical SMILES: | CCC1=NNC(=S)N1C2CC2 |
InChI: | InChI=1S/C7H11N3S/c1-2-6-8-9-7(11)10(6)5-3-4-5/h5H,2-4H2,1H3,(H,9,11) |
InChI Key: | HIXDKEVUCPHBTH-UHFFFAOYSA-N |
Boiling Point: | 225.3±23.0 ℃ at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 1.5±0.1 g/cm3 |
Complexity: | 220 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.06736854 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.06736854 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 59.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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