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Home Aldehydes 5-Methyl-2-thiophenecarboxaldehyde

5-Methyl-2-thiophenecarboxaldehyde

CAS No.:
13679-70-4
Catalog Number:
AG0012DM
Molecular Formula:
C6H6OS
Molecular Weight:
126.1762
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$38
- +
100g
≥98%
In Stock USA
United States
$98
- +
500g
98%
In Stock USA
United States
$400
- +
Product Description
Catalog Number:
AG0012DM
Chemical Name:
5-Methyl-2-thiophenecarboxaldehyde
CAS Number:
13679-70-4
Molecular Formula:
C6H6OS
Molecular Weight:
126.1762
MDL Number:
MFCD00005434
IUPAC Name:
5-methylthiophene-2-carbaldehyde
InChI:
InChI=1S/C6H6OS/c1-5-2-3-6(4-7)8-5/h2-4H,1H3
InChI Key:
VAUMDUIUEPIGHM-UHFFFAOYSA-N
SMILES:
Cc1ccc(s1)C=O
EC Number:
237-178-6
UNII:
UDF14S002L
NSC Number:
87542
FEMA Number:
3209
Properties
Complexity:
92.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.014g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.173g/mol
Monoisotopic Mass:
126.014g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
1,1'-(2,5-Dimethyl-thio-phene-3,4-di-yl)diethanone. Acta crystallographica. Section E, Structure reports online 20110901
1-(2-Hydr-oxy-5-methyl-phen-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one. Acta crystallographica. Section E, Structure reports online 20100601
Investigation of the aroma-active compounds formed in the maillard reaction between glutathione and reducing sugars. Journal of agricultural and food chemistry 20100310
2-Methyl-3-(5-methyl-2-thien-yl)-5-phenyl-perhydro-pyrrolo[3,4-d]isoxazole-4,6-dione. Acta crystallographica. Section E, Structure reports online 20090401
N-[(E)-(5-Methyl-thio-phen-2-yl)methyl-idene]-1H-1,2,4-triazol-3-amine. Acta crystallographica. Section E, Structure reports online 20090101
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601
GC-olfactometric characterization of aroma volatiles from the thermal degradation of thiamin in model orange juice. Journal of agricultural and food chemistry 20030507
Properties