Propionylthiocholine iodide

CAT: 0024-sc-236484Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-236484Size:5 g

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CAS Number

1866-73-5

Chemical Information

Ethanaminium, N,N,N-trimethyl-2-((1-oxopropyl)thio)-, iodide (1:1)

CAS Number	1866-73-5
PubChem CID	74632
IUPAC Name	trimethyl(2-propanoylsulfanylethyl)azanium iodide
Molecular Formula	C8H18INOS
Molecular Weight	303.21
Topological Polar Surface Area	42.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	12
Formal Charge	0
Complexity	129

SMILES

CCC(=O)SCC[N+](C)(C)C.[I-]

InChI

InChI=1S/C8H18NOS.HI/c1-5-8(10)11-7-6-9(2,3)4;/h5-7H2,1-4H3;1H/q+1;/p-1

InChIKey

BJQIXLJDWWVGAE-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 1866-73-5

CID: 74632

Formula: C8H18INOS

MW: 303.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	303.21
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	303.01538
Monoisotopic Mass	303.01538
Topological Polar Surface Area	42.4 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	129
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
sc-252360	Allyl iodide
sc-3541	Propidium Iodide
sc-294018A	Cholesteryl Iodide
sc-235412A	Isopropamide iodide
sc-253683	Tetramethylammonium iodide
sc-237043	Tetraheptylammonium iodide
sc-257995	Perfluoropropyl iodide
sc-252559A	Cesium iodide
sc-250677	Perfluorohexyl iodide
sc-506472	Iodocholine iodide

Catalog	Name
FP52394-01	S-Propionylthiocholine chloride
S01YF-0223-KX330	TO Iodide
MA-0228	Iodide
056195-01	Cuprous Iodide for Synthesis (Copper (I) Iodide)
IN12525-01	Bis[ (tetrabutylammonium iodide) copper (I) iodide]
SB0283	Sodium iodide
C8601-100	MPP+ iodide
B2008-10000	Potassium Iodide
A3120-10	360A iodide
C6791-100	Acetylcholine iodide