Pifithrin-ß hydrobromide

CAT: 0127-BUP05866-05Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP05866-05Size:50 mg

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CAS Number

511296-88-1

Synonyms

Cyclic PFT-a, PFT-ß, Cyclic Pifithrin-a hydrobromide, Pifithrin-ß, PFT ß (hydrobromide)

Purity

=98%

Smiles

Br.Cc1ccc(cc1)-c1cn2c3CCCCc3sc2n1

Chemical Information

Pifithrin-beta hydrobromide

CAS Number	511296-88-1
PubChem CID	11515812
IUPAC Name	2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole;hydrobromide
Molecular Formula	C16H17BrN2S
Molecular Weight	349.3
Topological Polar Surface Area	45.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	20
Formal Charge	0
Complexity	327

SMILES

CC1=CC=C(C=C1)C2=CN3C4=C(CCCC4)SC3=N2.Br

InChI

InChI=1S/C16H16N2S.BrH/c1-11-6-8-12(9-7-11)13-10-18-14-4-2-3-5-15(14)19-16(18)17-13;/h6-10H,2-5H2,1H3;1H

InChIKey

SGNCOAOESGSEOP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 511296-88-1

CID: 11515812

Formula: C16H17BrN2S

MW: 349.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	349.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	348.02958
Monoisotopic Mass	348.02958
Topological Polar Surface Area	45.5 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	327
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	2
Compound Is Canonicalized	Yes

Catalog	Name
BUP05923-01	Pifithrin-a hydrobromide
BUP14339-01	Pifithrin-µ
OR1014669	Pifithrin-alpha
BUP04815-01	Pifithrin-a, p-Nitro, Cyclic
OR1037869-01	Carbamimidic bromide hydrobromide (hydrobromide)
BUP21099-01	Arecaidine hydrobromide
BUP20626	Fenoterol hydrobromide
BUP01469-01	Tedatioxetine hydrobromide
BUP06985-01	Halofuginone hydrobromide
OR1026518-01	Dibutylamine Hydrobromide

Catalog	Name
HY-16702A-01	Pifithrin-β (hydrobromide)
T3637-01	Pifithrin-β hydrobromide
T2707-01	Pifithrin-α hydrobromide
HY-15484-01	Pifithrin-α (hydrobromide)
ALX-270-287-M050	Pifithrin-α (cyclic) . hydrobromide
A12451-25	Pifithrin-?? hydrobromide 25mg
S5791-25mg	Cyclic Pifithrin-α hydrobromide
A12451-10	Pifithrin-?? hydrobromide 10mg
HY-15484R-01	Pifithrin-α (hydrobromide) (Standard)
A12451-100	Pifithrin-?? hydrobromide 100mg