Thiophene-2-amidoxime - CAS 53370-51-7
Catalog: |
BB028181 |
Product Name: |
Thiophene-2-amidoxime |
CAS: |
53370-51-7 |
Synonyms: |
2-Thiophenecarboximidamide, N-hydroxy-; 2-Thiophenecarboxamidoxime; N-Hydroxy-2-thiophenecarboximidamide; 2-(N-Hydroxycarbamimidoyl)thiophene; 2-Thienylamidoxime; 2-Thiopheneamidoxime; 2-Thiophenecarboxamide oxime; N-Hydroxythiophene-2-carboximidamide |
Related CAS: | 108443-93-2 (Z-isomer)
|
IUPAC Name: | N'-hydroxythiophene-2-carboximidamide |
Molecular Weight: | 142.18 |
Molecular Formula: | C5H6N2OS |
Canonical SMILES: | C1=CSC(=C1)C(=NO)N |
InChI: | InChI=1S/C5H6N2OS/c6-5(7-8)4-2-1-3-9-4/h1-3,8H,(H2,6,7) |
InChI Key: | NKMNPRXPUZINOM-UHFFFAOYSA-N |
Boiling Point: | 258.7±32.0°C at 760 mmHg |
Melting Point: | 90°C |
Density: | 1.45±0.1 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00173698 |
LogP: | 1.54290 |
GHS Hazard Statement: | H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, 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 |
US-2011136823-A1 | Compounds having a potentiating effect on the activity of ethionamide and uses thereof | 20060704 |
US-2007208021-A1 | Phenoxyacetic Acid Derivatives and Drug Comprising The Same | 20040330 |
US-2003199506-A1 | Novel compounds and compositions as cathepsin S inhibitors | 20011114 |
US-2005267044-A1 | Novel compounds and compositions as cathepsin S inhibitors | 20011114 |
US-2007203138-A1 | Novel Compounds and Compositions as Cathepsin S Inhibitors | 20011114 |
Complexity: | 126 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 142.02008399 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 142.02008399 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 86.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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