1,3-Dimethyl-1H-thieno[2,3-c]pyrazole-5-carboxylic Acid - CAS 25252-46-4
Catalog: |
BB018820 |
Product Name: |
1,3-Dimethyl-1H-thieno[2,3-c]pyrazole-5-carboxylic Acid |
CAS: |
25252-46-4 |
Synonyms: |
1,3-dimethyl-5-thieno[2,3-c]pyrazolecarboxylic acid; 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylic acid |
IUPAC Name: | 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylic acid |
Description: | 1,3-Dimethyl-1H-thieno[2,3-c]pyrazole-5-carboxylic Acid (CAS# 25252-46-4) is a useful research chemical. |
Molecular Weight: | 196.23 |
Molecular Formula: | C8H8N2O2S |
Canonical SMILES: | CC1=NN(C2=C1C=C(S2)C(=O)O)C |
InChI: | InChI=1S/C8H8N2O2S/c1-4-5-3-6(8(11)12)13-7(5)10(2)9-4/h3H,1-2H3,(H,11,12) |
InChI Key: | QRANSYHQSVJLHX-UHFFFAOYSA-N |
Boiling Point: | 401.5 °C at 760 mmHg |
Density: | 1.54 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00126746 |
LogP: | 1.64140 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021188907-A1 | Pyridinesulfonamide derivatives as trap1 modulators and uses thereof | 20200320 |
US-2021214701-A1 | Modified cleavases, uses thereof and related kits | 20190326 |
TW-201938164-A | Novel heterocyclic compounds | 20180108 |
WO-2019134985-A1 | Octahydropyrido[1,2-alpha]pyrazines as magl inhibitors | 20180108 |
CN-111566105-A | Octahydropyrido [1, 2-alpha ] pyrazines as MAGL inhibitors | 20180108 |
Complexity: | 236 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.03064868 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.03064868 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 83.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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