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498-62-4 | 3-Thiophenecarboxaldehyde
CAS No: 498-62-4 Catalog No: AG0033S9 MDL No:MFCD00005466
Product Description
Catalog Number:
AG0033S9
Chemical Name:
3-Thiophenecarboxaldehyde
CAS Number:
498-62-4
Molecular Formula:
C5H4OS
Molecular Weight:
112.1497
MDL Number:
MFCD00005466
IUPAC Name:
thiophene-3-carbaldehyde
InChI:
InChI=1S/C5H4OS/c6-3-5-1-2-7-4-5/h1-4H
InChI Key:
RBIGKSZIQCTIJF-UHFFFAOYSA-N
SMILES:
O=Cc1cscc1
EC Number:
207-865-5
NSC Number:
172858
Properties
Complexity:
72.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.998g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.146g/mol
Monoisotopic Mass:
111.998g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| 3-[(2-Formyl-thio-phen-3-yl)(hy-droxy)meth-yl]thio-phene-2-carbaldehyde. | Acta crystallographica. Section E, Structure reports online 20120101 |
| (1E,4E)-1,5-Bis(thio-phen-3-yl)penta-1,4-dien-3-one. | Acta crystallographica. Section E, Structure reports online 20110901 |
| 3-Hydroxy-2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(thiophen-3-yl)methyl]-5,5-dimethylcyclohex-2-en-1-one. | Acta crystallographica. Section E, Structure reports online 20110701 |
| Tetrabutylammonium fluoride (TBAF)-catalyzed addition of substituted trialkylsilylalkynes to aldehydes, ketones, and trifluoromethyl ketones. | The Journal of organic chemistry 20110603 |
| 4-Hy-droxy-3-[(4-hy-droxy-2-oxo-2H-3-chromen-yl)(3-thien-yl)meth-yl]-2H-chromen-2-one. | Acta crystallographica. Section E, Structure reports online 20110501 |
| 1-Benzyl-3,5-bis-[(E)-3-thienyl-methyl-idene]piperidin-4-one. | Acta crystallographica. Section E, Structure reports online 20110301 |
| 4-Hy-droxy-3-[(4-hy-droxy-6-methyl-2-oxo-3,6-dihydro-2H-pyran-3-yl)(3-thien-yl)meth-yl]-6-methyl-3,6-dihydro-2H-pyran-2-one. | Acta crystallographica. Section E, Structure reports online 20110201 |
| Tris{2-[(3-thien-yl)methyl-idene-amino]-eth-yl}amine. | Acta crystallographica. Section E, Structure reports online 20101101 |
| 3-Methyl-4-[(E)-3-thien-ylmethyl-idene-amino]-1H-1,2,4-triazole-5(4H)-thione. | Acta crystallographica. Section E, Structure reports online 20101101 |
| Adsorption and separation of reactive aromatic isomers and generation and stabilization of their radicals within cadmium(II)-triazole metal-organic confined space in a single-crystal-to-single-crystal fashion. | Journal of the American Chemical Society 20100526 |
| N'-(3-Thienylmethyl-ene)pyridine-2-carbohydrazide. | Acta crystallographica. Section E, Structure reports online 20080401 |
| Synthesis of heteroaryl imines: theoretical and experimental approach to the determination of the configuration of C=N double bond. | The Journal of organic chemistry 20060915 |
| Prediction of genotoxicity of chemical compounds by statistical learning methods. | Chemical research in toxicology 20050601 |
| Synthesis, photochemical synthesis and antitumor evaluation of novel derivatives of thieno[3',2':4,5]thieno[2,3-c]quinolones. | Chemical & pharmaceutical bulletin 20020501 |
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