Diethyl-pythiDC

CAT: 0127-BUP14301-04Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP14301-04Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1821370-70-0

Purity

=98%

Smiles

CCOC(=O)c1cnc(s1)-c1ccc(cn1)C(=O)OCC

Chemical Information

Diethyl-pythiDC

CAS Number	1821370-70-0
PubChem CID	122554535
IUPAC Name	ethyl 2-(5-ethoxycarbonyl-2-pyridinyl)-1,3-thiazole-5-carboxylate
Molecular Formula	C14H14N2O4S
Molecular Weight	306.34
XLogP	2.4
Topological Polar Surface Area	107
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Heavy Atom Count	21
Formal Charge	0
Complexity	380

SMILES

CCOC(=O)C1=CN=C(C=C1)C2=NC=C(S2)C(=O)OCC

InChI

InChI=1S/C14H14N2O4S/c1-3-19-13(17)9-5-6-10(15-7-9)12-16-8-11(21-12)14(18)20-4-2/h5-8H,3-4H2,1-2H3

InChIKey

NSMODRMOSSBWGQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1821370-70-0

CID: 122554535

Formula: C14H14N2O4S

MW: 306.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	306.34
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	306.06742811
Monoisotopic Mass	306.06742811
Topological Polar Surface Area	107 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	380
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BUP06610-01	PythiDC
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BUP19722	Diethyl fumarate
OR1003470-01	Diethyl Cyclobutylidenemalonate
OR1012879	Diethyl succinate
BUP14825	Diethyl phosphate
OR1043911-01	Diethyl Azamalonate
OR74771-01	Diethyl allylmalonate