5-Cyanothiophene-2-carboxaldehyde - CAS 21512-16-3
Catalog: |
BB016929 |
Product Name: |
5-Cyanothiophene-2-carboxaldehyde |
CAS: |
21512-16-3 |
Synonyms: |
5-formylthiophene-2-carbonitrile |
IUPAC Name: | 5-formylthiophene-2-carbonitrile |
Description: | 5-Cyanothiophene-2-carboxaldehyde (CAS# 21512-16-3) is found in caper (Capparis spinosa) and may have nematicidal activity against Meloidogyne incognita. |
Molecular Weight: | 137.16 |
Molecular Formula: | C6H3NOS |
Canonical SMILES: | C1=C(SC(=C1)C#N)C=O |
InChI: | InChI=1S/C6H3NOS/c7-3-5-1-2-6(4-8)9-5/h1-2,4H |
InChI Key: | PZIFYWVUYHMYOA-UHFFFAOYSA-N |
Boiling Point: | 297.2 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.534 g/cm3 |
MDL: | MFCD09037804 |
LogP: | 1.43228 |
GHS Hazard Statement: | H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111560090-A | Photoresponsive polymer material, adhesive, toner and image forming method | 20190214 |
EP-3696200-A1 | Photoresponsive high-molecular weight material, adhesive, toner, and image forming method | 20190214 |
EP-3696249-A1 | Photoresponsive low-molecular weight material, adhesive, toner, and image forming method | 20190214 |
US-2020263088-A1 | Photoresponsive high-molecular weight material, adhesive, toner, and image forming method | 20190214 |
US-2020264530-A1 | Photoresponsive low-molecular weight material, adhesive, toner, and image forming method | 20190214 |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 136.99353489 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 136.99353489 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 69.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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