Ethyl thiamine bromide hydrobromide

CAT: 0926-FE157398Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-FE157398Size:25 mg

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CAS Number

6309-04-2

Smiles

CCC1=NC=C (C (=N1) N) C[N+]2=CSC (=C2C) CCO.Br.[Br-]

Molecular Formula

C13H19N4OSBr·HBr

Molecular Weight

440.2 g/mol

Controlled

Chemical Information

Ethyl thiamine bromide hydrobromide

CAS Number	6309-04-2
PubChem CID	24185679
IUPAC Name	2-[3-[(4-amino-2-ethylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;bromide;hydrobromide
Molecular Formula	C13H20Br2N4OS
Molecular Weight	440.20
Topological Polar Surface Area	104
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	21
Formal Charge	0
Complexity	281

SMILES

CCC1=NC=C(C(=N1)N)C[N+]2=CSC(=C2C)CCO.Br.[Br-]

InChI

InChI=1S/C13H19N4OS.2BrH/c1-3-12-15-6-10(13(14)16-12)7-17-8-19-11(4-5-18)9(17)2;;/h6,8,18H,3-5,7H2,1-2H3,(H2,14,15,16);2*1H/q+1;;/p-1

InChIKey

AAUOCCXBCNFAEA-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 6309-04-2

CID: 24185679

Formula: C13H20Br2N4OS

MW: 440.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	440.20
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	439.97041
Monoisotopic Mass	437.97246
Topological Polar Surface Area	104 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	281
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	3
Compound Is Canonicalized	Yes

Catalog	Name
BAA06972-01	2- (Diethylamino) ethyl Bromide Hydrobromide
FE23072-01	Ethyl thiamine
BHC55176-01	(6-Aminohexyl) triphenylphosphonium bromide hydrobromide
RUB57269-01	4- (Dimethylamino) benzyl bromide hydrobromide
NDA80606	3- (4-Morpholine) propyl bromide hydrobromide
BZB98428-01	N-[2- (4-Aminophenoxy) ethyl]-4-bromo-N, N-dimethylbenzeneethanaminium bromide hydrobromide
FP16117-01	2-Phenoxy ethyl bromide
FM121339	[2- (Methylsulfinyl) ethyl]amine hydrobromide
QCA75641-01	4-Ethyl-4-methylmorpholinium bromide
TTB39065-01	4-[1- (Methylamino) ethyl]phenol hydrobromide

Catalog	Name
TRC-E926690-25MG	Ethyl Thiamine Bromide Hydrobromide
467484	Thiamine-d3 Bromide Hydrobromide
TC1516-01	Bromo ethyl Amine Hydrobromide 2-Aminoethyl bromide hydrobromide
OR1037869-01	Carbamimidic bromide hydrobromide (hydrobromide)
CS-T-23210	Ethyl Thiamine
015042-01	Isometamidium Bromide Hydrobromide
MBS3843599-01	MitoTam bromide, hydrobromide
HY-126222	MitoTam (bromide, hydrobromide)
CS-O-44131	Thiamine EP Impurity B Hydrobromide
A19142-10	MitoTam bromide, hydrobromide 10mg