4-[3-(Diethylamino)propyl]-5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol - CAS 937597-08-5
Catalog: |
BB048643 |
Product Name: |
4-[3-(Diethylamino)propyl]-5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol |
CAS: |
937597-08-5 |
Synonyms: |
4-[3-(diethylamino)propyl]-5-[(3-nitro(1,2,4-triazolyl))methyl]-1,2,4-triazole-3-thiol; 4-(3-Diethylamino-propyl)-5-(3-nitro-[1,2,4]triazol-1-ylmethyl)-4H-[1,2,4]triazole-3-thiol; 3H-1,2,4-Triazole-3-thione, 4-[3-(diethylamino)propyl]-2,4-dihydro-5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]- |
IUPAC Name: | 4-[3-(diethylamino)propyl]-3-[(3-nitro-1,2,4-triazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione |
Description: | 4-[3-(Diethylamino)propyl]-5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol (CAS# 937597-08-5 ) is a useful research chemical. |
Molecular Weight: | 340.41 |
Molecular Formula: | C12H20N8O2S |
Canonical SMILES: | CCN(CC)CCCN1C(=NNC1=S)CN2C=NC(=N2)[N+](=O)[O-] |
InChI: | InChI=1S/C12H20N8O2S/c1-3-17(4-2)6-5-7-19-10(14-15-12(19)23)8-18-9-13-11(16-18)20(21)22/h9H,3-8H2,1-2H3,(H,15,23) |
InChI Key: | RYXALYAWNPFOCU-UHFFFAOYSA-N |
Boiling Point: | 579.6±60.0 °C at 760 mmHg |
Density: | 1.5±0.1 g/cm3 |
Complexity: | 465 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 340.14299308 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 340.14299308 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 140 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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