5-Cyclohexyl-4-methyl-4H-1,2,4-triazole-3-thiol - CAS 335220-81-0
Catalog: |
BB047092 |
Product Name: |
5-Cyclohexyl-4-methyl-4H-1,2,4-triazole-3-thiol |
CAS: |
335220-81-0 |
Synonyms: |
5-cyclohexyl-4-methyl-1,2,4-triazole-3-thiol |
IUPAC Name: | 3-cyclohexyl-4-methyl-1H-1,2,4-triazole-5-thione |
Description: | 5-Cyclohexyl-4-methyl-4H-1,2,4-triazole-3-thiol (CAS# 335220-81-0 ) is a useful research chemical. |
Molecular Weight: | 197.30 |
Molecular Formula: | C9H15N3S |
Canonical SMILES: | CN1C(=NNC1=S)C2CCCCC2 |
InChI: | InChI=1S/C9H15N3S/c1-12-8(10-11-9(12)13)7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,11,13) |
InChI Key: | GEEGFTNWHBZPJG-UHFFFAOYSA-N |
Boiling Point: | 268.5 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.32 g/cm3 |
Complexity: | 243 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.09866866 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.09866866 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 59.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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