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1003-32-3 | Thiazole-5-carboxaldehyde
CAS No: 1003-32-3 Catalog No: AG0001HH MDL No:MFCD02179516
Product Description
Catalog Number:
AG0001HH
Chemical Name:
Thiazole-5-carboxaldehyde
CAS Number:
1003-32-3
Molecular Formula:
C4H3NOS
Molecular Weight:
113.1377
MDL Number:
MFCD02179516
IUPAC Name:
1,3-thiazole-5-carbaldehyde
InChI:
InChI=1S/C4H3NOS/c6-2-4-1-5-3-7-4/h1-3H
InChI Key:
ZXRLWHGLEJGMNO-UHFFFAOYSA-N
SMILES:
O=Cc1cncs1
Properties
Complexity:
76.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.994g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
113.134g/mol
Monoisotopic Mass:
112.994g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Fucoxanthin attenuates rifampin-induced cytochrome P450 3A4 (CYP3A4) and multiple drug resistance 1 (MDR1) gene expression through pregnane X receptor (PXR)-mediated pathways in human hepatoma HepG2 and colon adenocarcinoma LS174T cells. | Marine drugs 20120101 |
| Neonicotinoid insecticides: oxidative stress in planta and metallo-oxidase inhibition. | Journal of agricultural and food chemistry 20110511 |
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