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Diethyl 4,5-Thiazoledicarboxylate

CAT: 0572-TRC-D522940-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D522940-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
18940-72-2
Synonyms
4,5-Thiazoledicarboxylic Acid Diethyl Ester (8CI,9CI)
Hazard Statement
Harmful if swallowed.
Smiles
CCOC(=O)c1ncsc1C(=O)OCC
Molecular Formula
C9H11NO4S
Molecular Weight
229.25
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Diethyl 4,5-Thiazoledicarboxylate
CAS Number18940-72-2
PubChem CID21817133
IUPAC Namediethyl 1,3-thiazole-4,5-dicarboxylate
Molecular FormulaC9H11NO4S
Molecular Weight229.26
XLogP2.1
Topological Polar Surface Area93.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count15
Formal Charge0
Complexity246
SMILES
CCOC(=O)C1=C(SC=N1)C(=O)OCC
InChI
InChI=1S/C9H11NO4S/c1-3-13-8(11)6-7(15-5-10-6)9(12)14-4-2/h5H,3-4H2,1-2H3
InChIKey
RGPLYCBCMRYODB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diethyl 4,5-Thiazoledicarboxylate
CAS: 18940-72-2
CID: 21817133
Formula: C9H11NO4S
MW: 229.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight229.26
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass229.04087901
Monoisotopic Mass229.04087901
Topological Polar Surface Area93.7 Ų
Heavy Atom Count15
Formal Charge0
Complexity246
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
LBA97853-014,5-Diethyl pyrimidine-4,5-dicarboxylate
OR919394-013,5-Diethyl-4-hydroxybenzaldehyde
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FAA45534-015,5-Diethyl-imidazolidine-2,4-dione
D218503 3-Diethyl-4 5 4 5-Dibenzothiocarbocyanine Bromide
MBS6086688-01Diethyl-2-propylimidazole-4,5-dicarboxylate
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