5-Ethyl-1H-1,2,4-triazole-3-thiol - CAS 7271-45-6
Catalog: |
BB050056 |
Product Name: |
5-Ethyl-1H-1,2,4-triazole-3-thiol |
CAS: |
7271-45-6 |
Synonyms: |
5-ethyl-1H-1,2,4-triazole-3-thiol; 3-ethyl-1,2,4-triazole-5-thiol; 2-mercapto-5-ethyl-1,3,4-triazole; 1H-1,2,4-triazole-3-thiol, 5-ethyl- |
IUPAC Name: | 5-ethyl-1,2-dihydro-1,2,4-triazole-3-thione |
Description: | 5-Ethyl-1H-1,2,4-triazole-3-thiol (CAS# 7271-45-6 ) is a useful research chemical. |
Molecular Weight: | 129.19 |
Molecular Formula: | C4H7N3S |
Canonical SMILES: | CCC1=NC(=S)NN1 |
InChI: | InChI=1S/C4H7N3S/c1-2-3-5-4(8)7-6-3/h2H2,1H3,(H2,5,6,7,8) |
InChI Key: | QKCNMYZGZIKYHA-UHFFFAOYSA-N |
Boiling Point: | 293.287 °C at 760 mmHg |
Density: | 1.297 g/cm3 |
Complexity: | 140 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 129.03606841 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 129.03606841 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 68.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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