5-{2-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-1,3,4-thiadiazol-2-amine - CAS 2054954-09-3
Catalog: |
BB051175 |
Product Name: |
5-{2-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-1,3,4-thiadiazol-2-amine |
CAS: |
2054954-09-3 |
Synonyms: |
1,3,4-Thiadiazol-2-amine, 5-[2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl]- |
IUPAC Name: | 5-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine |
Molecular Weight: | 263.25 |
Molecular Formula: | C8H8F3N5S |
Canonical SMILES: | C1=CN(N=C1C(F)(F)F)CCC2=NN=C(S2)N |
InChI: | InChI=1S/C8H8F3N5S/c9-8(10,11)5-1-3-16(15-5)4-2-6-13-14-7(12)17-6/h1,3H,2,4H2,(H2,12,14) |
InChI Key: | VSKZESDNCFINHW-UHFFFAOYSA-N |
Boiling Point: | 409.3±55.0°C at 760 mmHg |
Density: | 1.7±0.1 g/cm3 |
Complexity: | 264 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 263.04525094 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 263.04525094 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 97.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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