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CS-B1628

CAT: 0013-GTR19165899-05Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19165899-05Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CS-B1628
CAS Number
1434643-33-0
Product Name Alternative
Tert-Butyl 2- (6-bromo-5-methyl-2,4-dioxo-1,4-dihydrothieno[2,3-d]pyrimidin-3 (2H) -yl) -2-methylpropanoate, CS B1628, CS-B 1628, CSB1628, CS-B1628, CS-B-1628, ACN 053859, ACN053859, ACN-053859
Purity
97.07% (May vary between batches)
Solubility
DMSO:4.04 mg/mL (10.02 mM)
Smiles
Cc1c (Br) sc2[nH]c (=O) n (c (=O) c12) C (C) (C) C (=O) OC (C) (C) C
Molecular Formula
C15H19BrN2O4S
Molecular Weight
403.29
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

tert-Butyl 2-(6-bromo-5-methyl-2,4-dioxo-1,4-dihydrothieno[2,3-d]pyrimidin-3(2H)-yl)-2-methylpropanoate
CAS Number1434643-33-0
PubChem CID89564436
IUPAC Nametert-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoate
Molecular FormulaC15H19BrN2O4S
Molecular Weight403.3
XLogP3.5
Topological Polar Surface Area104
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity546
SMILES
CC1=C(SC2=C1C(=O)N(C(=O)N2)C(C)(C)C(=O)OC(C)(C)C)Br
InChI
InChI=1S/C15H19BrN2O4S/c1-7-8-10(23-9(7)16)17-13(21)18(11(8)19)15(5,6)12(20)22-14(2,3)4/h1-6H3,(H,17,21)
InChIKey
APGNVOSIXZYEPK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of tert-Butyl 2-(6-bromo-5-methyl-2,4-dioxo-1,4-dihydrothieno[2,3-d]pyrimidin-3(2H)-yl)-2-methylpropanoate
CAS: 1434643-33-0
CID: 89564436
Formula: C15H19BrN2O4S
MW: 403.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight403.3
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass402.02489
Monoisotopic Mass402.02489
Topological Polar Surface Area104 Ų
Heavy Atom Count23
Formal Charge0
Complexity546
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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