5-Phenylthiophene-2-carboxaldehyde - CAS 19163-21-4
Catalog: |
BB014830 |
Product Name: |
5-Phenylthiophene-2-carboxaldehyde |
CAS: |
19163-21-4 |
Synonyms: |
5-phenylthiophene-2-carbaldehyde |
IUPAC Name: | 5-phenylthiophene-2-carbaldehyde |
Description: | 5-Phenylthiophene-2-carboxaldehyde (CAS# 19163-21-4) is a useful research chemical. |
Molecular Weight: | 188.25 |
Molecular Formula: | C11H8OS |
Canonical SMILES: | C1=CC=C(C=C1)C2=CC=C(S2)C=O |
InChI: | InChI=1S/C11H8OS/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h1-8H |
InChI Key: | APWHJDHTLFVWSQ-UHFFFAOYSA-N |
Boiling Point: | 340 °C at 760 mmHg |
Density: | 1.207 g/cm3 |
Appearance: | Yellow to orange powder or crystals |
MDL: | MFCD01151752 |
LogP: | 3.22760 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113072488-A | Styrene derivative and synthesis method and application thereof | 20210330 |
WO-2021005222-A1 | Inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase | 20190711 |
CN-110372692-B | Dihydroquinazolinone reverse transport process blocker, and preparation method and application thereof | 20180413 |
WO-2019138107-A1 | Inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase | 20180115 |
CN-111601810-A | Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase | 20180115 |
PMID | Publication Date | Title | Journal |
21203142 | 20080705 | (3R,3aS,6aR)-2,5-Dimethyl-3-(5-phenyl-2-thien-yl)perhydro-pyrrolo[3,4-d][1,2]oxazole-4,6-dione | Acta crystallographica. Section E, Structure reports online |
Complexity: | 175 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.02958605 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.02958605 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 45.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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