5-(4-Bromothiophen-2-yl)-4-methyl-4H-1,2,4-triazole-3-thiol - CAS 828274-88-0
Catalog: |
BB045979 |
Product Name: |
5-(4-Bromothiophen-2-yl)-4-methyl-4H-1,2,4-triazole-3-thiol |
CAS: |
828274-88-0 |
Synonyms: |
5-(4-Bromo-thiophen-2-yl)-4-methyl-4H-[1,2,4]-triazole-3-thiol; 5-(4-bromo(2-thienyl))-4-methyl-1,2,4-triazole-3-thiol |
IUPAC Name: | 3-(4-bromothiophen-2-yl)-4-methyl-1H-1,2,4-triazole-5-thione |
Description: | 5-(4-Bromothiophen-2-yl)-4-methyl-4H-1,2,4-triazole-3-thiol (CAS# 828274-88-0 ) is a useful research chemical. |
Molecular Weight: | 276.2 |
Molecular Formula: | C7H6BrN3S2 |
Canonical SMILES: | CN1C(=NNC1=S)C2=CC(=CS2)Br |
InChI: | InChI=1S/C7H6BrN3S2/c1-11-6(9-10-7(11)12)5-2-4(8)3-13-5/h2-3H,1H3,(H,10,12) |
InChI Key: | WJOMDJWRVPLVSL-UHFFFAOYSA-N |
Boiling Point: | 330.6±52.0 °C at 760 mmHg |
Density: | 1.9±0.1 g/cm3 |
Complexity: | 269 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 274.91865 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 274.91865 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 88 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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