4-Ethyl-5-[(5-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol - CAS 1004020-62-5
Catalog: |
BB045559 |
Product Name: |
4-Ethyl-5-[(5-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol |
CAS: |
1004020-62-5 |
Synonyms: |
4-Ethyl-5-(5-methyl-pyrazol-1-ylmethyl)-4H-[1,2,4]triazole-3-thiol |
IUPAC Name: | 4-ethyl-3-[(5-methylpyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione |
Description: | 4-Ethyl-5-[(5-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol (CAS# 1004020-62-5 ) is a useful research chemical. |
Molecular Weight: | 223.30 |
Molecular Formula: | C9H13N5S |
Canonical SMILES: | CCN1C(=NNC1=S)CN2C(=CC=N2)C |
InChI: | InChI=1S/C9H13N5S/c1-3-13-8(11-12-9(13)15)6-14-7(2)4-5-10-14/h4-5H,3,6H2,1-2H3,(H,12,15) |
InChI Key: | DBMXETUDRFBAIY-UHFFFAOYSA-N |
Complexity: | 290 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.08916661 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.08916661 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 77.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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Related Functional Groups
Nitrogen Compounds
Pyrazoles
Sulfur Compounds
Triazole/Tetrazole
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