4-Methoxy-3-(methylthio)benzaldehyde - CAS 75889-55-3
Catalog: |
BB035429 |
Product Name: |
4-Methoxy-3-(methylthio)benzaldehyde |
CAS: |
75889-55-3 |
Synonyms: |
4-methoxy-3-(methylthio)benzaldehyde; 4-methoxy-3-methylsulfanylbenzaldehyde |
IUPAC Name: | 4-methoxy-3-methylsulfanylbenzaldehyde |
Description: | 4-Methoxy-3-(methylthio)benzaldehyde (CAS# 75889-55-3 ) is a useful research chemical. |
Molecular Weight: | 182.24 |
Molecular Formula: | C9H10O2S |
Canonical SMILES: | COC1=C(C=C(C=C1)C=O)SC |
InChI: | InChI=1S/C9H10O2S/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-6H,1-2H3 |
InChI Key: | JGKMHMMBGAAACW-UHFFFAOYSA-N |
LogP: | 2.22960 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3050887-A1 | Fused polycyclic heteroaromatic compound, organic thin film including compound and electronic device including organic thin film | 20150129 |
EP-3050887-B1 | Fused polycyclic heteroaromatic compound, organic thin film including compound and electronic device including organic thin film | 20150129 |
US-10559764-B2 | Fused polycyclic heteroaromatic compound, organic thin film including compound and electronic device including organic thin film | 20150129 |
US-2016226005-A1 | Fused polycyclic heteroaromatic compound, organic thin film including compound and electronic device including organic thin film | 20150129 |
AU-2009305005-A1 | Phenethylamide derivatives and their heterocyclic analogues | 20081014 |
Complexity: | 150 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.04015073 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.04015073 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 51.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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