5-[1-(4-Chloro-1H-pyrazol-1-yl)-1-methylethyl]-1,3,4-thiadiazol-2-amine - CAS 2054954-57-1
Catalog: |
BB051177 |
Product Name: |
5-[1-(4-Chloro-1H-pyrazol-1-yl)-1-methylethyl]-1,3,4-thiadiazol-2-amine |
CAS: |
2054954-57-1 |
Synonyms: |
1,3,4-Thiadiazol-2-amine, 5-[1-(4-chloro-1H-pyrazol-1-yl)-1-methylethyl]-; 5-[2-(4-Chloro-1H-pyrazol-1-yl)-2-propanyl]-1,3,4-thiadiazol-2-amine |
IUPAC Name: | 5-[2-(4-chloropyrazol-1-yl)propan-2-yl]-1,3,4-thiadiazol-2-amine |
Molecular Weight: | 243.72 |
Molecular Formula: | C8H10ClN5S |
Canonical SMILES: | CC(C)(C1=NN=C(S1)N)N2C=C(C=N2)Cl |
InChI: | InChI=1S/C8H10ClN5S/c1-8(2,6-12-13-7(10)15-6)14-4-5(9)3-11-14/h3-4H,1-2H3,(H2,10,13) |
InChI Key: | WWSJWVIOVJPBPV-UHFFFAOYSA-N |
Boiling Point: | 420.9±51.0°C at 760 mmHg |
Density: | 1.6±0.1 g/cm3 |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.0345442 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.0345442 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 97.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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