3-Amino-5-(methylthio)pyrazole-4-carbonitrile - CAS 72760-85-1
Catalog: |
BB034684 |
Product Name: |
3-Amino-5-(methylthio)pyrazole-4-carbonitrile |
CAS: |
72760-85-1 |
Synonyms: |
5-amino-3-methylsulfanyl-1H-pyrazole-4-carbonitrile |
IUPAC Name: | 5-amino-3-methylsulfanyl-1H-pyrazole-4-carbonitrile |
Description: | 3-Amino-5-(methylthio)pyrazole-4-carbonitrile (CAS# 72760-85-1) is a useful research chemical. |
Molecular Weight: | 154.19 |
Molecular Formula: | C5H6N4S |
Canonical SMILES: | CSC1=NNC(=C1C#N)N |
InChI: | InChI=1S/C5H6N4S/c1-10-5-3(2-6)4(7)8-9-5/h1H3,(H3,7,8,9) |
InChI Key: | IUVUVQGOSHLPJV-UHFFFAOYSA-N |
Boiling Point: | 475.2 °C at 760 mmHg |
Density: | 1.45 g/cm3 |
MDL: | MFCD00052745 |
LogP: | 1.16668 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3402785-B1 | 3-(carboxymethyl)-8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives | 20160113 |
AU-2013205240-A1 | 3,5-diaminopyrazole kinase inhibitors | 20120316 |
CA-2867469-A1 | 3,5-diaminopyrazole kinase inhibitors | 20120316 |
EP-2834232-A1 | 3,5-diaminopyrazole kinase inhibitors | 20120316 |
JP-2015510895-A | 3,5-diaminopyrazole kinase inhibitor | 20120316 |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.03131738 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.03131738 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 104 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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