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CS-B1628

CAT: 0931-T8749-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T8749-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1434643-33-0
Target
Others
Related Pathways
Others
Purity
0.9894
Bioactivity
CS-B1628 (tert-Butyl 2- (6-bromo-5-methyl-2,4-dioxo-1,4-dihydrothieno[2,3-d]pyrimidin-3 (2H) -yl) -2-methylpropanoate) can be used in the synthesis of pyrimidine derivatives, with the potential use of being a starting material for a wide variety of organic compounds, including pharmaceuticals and agrochemicals.
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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