5-(4,5-Dibromothiophen-2-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol - CAS 828275-81-6
Catalog: |
BB045982 |
Product Name: |
5-(4,5-Dibromothiophen-2-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol |
CAS: |
828275-81-6 |
Synonyms: |
5-(4,5-Dibromo-thiophen-2-yl)-4-ethyl-4H-[1,2,4]-triazole-3-thiol; 5-(4,5-dibromo(2-thienyl))-4-ethyl-1,2,4-triazole-3-thiol |
IUPAC Name: | 3-(4,5-dibromothiophen-2-yl)-4-ethyl-1H-1,2,4-triazole-5-thione |
Description: | 5-(4,5-Dibromothiophen-2-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol (CAS# 828275-81-6 ) is a useful research chemical. |
Molecular Weight: | 369.1 |
Molecular Formula: | C8H7Br2N3S2 |
Canonical SMILES: | CCN1C(=NNC1=S)C2=CC(=C(S2)Br)Br |
InChI: | InChI=1S/C8H7Br2N3S2/c1-2-13-7(11-12-8(13)14)5-3-4(9)6(10)15-5/h3H,2H2,1H3,(H,12,14) |
InChI Key: | ZUMIIYJUNYNFMV-UHFFFAOYSA-N |
Boiling Point: | 390.0±52.0 °C at 760 mmHg |
Density: | 2.1±0.1 g/cm3 |
Complexity: | 310 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 368.84277 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 366.84481 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 88 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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