5-Amino-3-(2-thienyl)pyrazole - CAS 96799-03-0
Catalog: |
BB042008 |
Product Name: |
5-Amino-3-(2-thienyl)pyrazole |
CAS: |
96799-03-0 |
Synonyms: |
5-thiophen-2-yl-1H-pyrazol-3-amine |
IUPAC Name: | 5-thiophen-2-yl-1H-pyrazol-3-amine |
Description: | 5-Amino-3-(2-thienyl)pyrazole (CAS# 96799-03-0) is a compound useful in organic synthesis. |
Molecular Weight: | 165.22 |
Molecular Formula: | C7H7N3S |
Canonical SMILES: | C1=CSC(=C1)C2=CC(=NN2)N |
InChI: | InChI=1S/C7H7N3S/c8-7-4-5(9-10-7)6-2-1-3-11-6/h1-4H,(H3,8,9,10) |
InChI Key: | TXSOLYKLZBJHFF-UHFFFAOYSA-N |
Boiling Point: | 453.8 ℃ at 760 mmHg |
Density: | 1.399 g/cm3 |
Storage: | Keep in dark place, Sealed in dry, 2-8 ℃ |
MDL: | MFCD00051815 |
LogP: | 2.30160 |
GHS Hazard Statement: | H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
JP-2017075126-A | Thienylpyrazole derivatives and nematicides containing them as active ingredients | 20151015 |
AU-2016319525-A1 | Condensed pyrimidine compound or salt thereof | 20150908 |
AU-2016319525-B2 | Fused pyrimidine compound or salt thereof | 20150908 |
AU-2016319525-C1 | Fused pyrimidine compound or salt thereof | 20150908 |
EP-3260454-A1 | Condensed pyrimidine compound or salt thereof | 20150908 |
Complexity: | 142 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.03606841 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.03606841 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 82.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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