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Compound FL0114

CAT: 0013-GTR19269710-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269710-05Size:50 mg
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Description
Compound FL0114, with CAS No. 949922-52-5, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0114 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
949922-52-5
Purity
99.53% (May vary between batches)
Smiles
Cl.Brc1nc2CCNCc2s1
Molecular Formula
C6H8BrClN2S
Molecular Weight
255.56
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Bromo-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine hydrochloride
CAS Number949922-52-5
PubChem CID17750404
IUPAC Name2-bromo-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;hydrochloride
Molecular FormulaC6H8BrClN2S
Molecular Weight255.56
Topological Polar Surface Area53.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity133
SMILES
C1CNCC2=C1N=C(S2)Br.Cl
InChI
InChI=1S/C6H7BrN2S.ClH/c7-6-9-4-1-2-8-3-5(4)10-6;/h8H,1-3H2;1H
InChIKey
PBOWGJGHBQXXET-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromo-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine hydrochloride
CAS: 949922-52-5
CID: 17750404
Formula: C6H8BrClN2S
MW: 255.56
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight255.56
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass253.92801
Monoisotopic Mass253.92801
Topological Polar Surface Area53.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity133
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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