3-(Ethylsulfanyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-4-amine - CAS 118158-92-2
Catalog: |
BB048466 |
Product Name: |
3-(Ethylsulfanyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-4-amine |
CAS: |
118158-92-2 |
Synonyms: |
3-(ethylthio)-5-(2-thienyl)-4H-1,2,4-triazol-4-amine; 3-(ethylthio)-5-(thiophen-2-yl)-4H-1,2,4-triazol-4-amine; 3-(ethylsulfanyl)-5-(2-thienyl)-4h-1,2,4-triazol-4-amine; 5-ethylthio-3-(2-thienyl)-1,2,4-triazole-4-ylamine; 3-Ethylsulfanyl-5-thiophen-2-yl-[1,2,4]triazol-4-ylamine; 3-(ethylthio)-5-thien-2-yl-4H-1,2,4-triazol-4-amine |
IUPAC Name: | 3-ethylsulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-amine |
Description: | 3-(Ethylsulfanyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-4-amine (CAS# 118158-92-2 ) is a useful research chemical. |
Molecular Weight: | 226.32 |
Molecular Formula: | C8H10N4S2 |
Canonical SMILES: | CCSC1=NN=C(N1N)C2=CC=CS2 |
InChI: | InChI=1S/C8H10N4S2/c1-2-13-8-11-10-7(12(8)9)6-4-3-5-14-6/h3-5H,2,9H2,1H3 |
InChI Key: | UWTQTJQKRFIQDP-UHFFFAOYSA-N |
Boiling Point: | 458.2±37.0 ℃ (Predicted) |
Density: | 1.51±0.1 g/cm3 (Predicted) |
Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.03468868 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.03468868 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 110 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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