Butyrylthiocholine iodide

CAT: 0063-34904481Size: 5 gDry Ice: NoHazardous: No

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CAT#:0063-34904481Size:5 g

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CAS Number

1866-16-6

Chemical Information

Butyrylthiocholine iodide

CAS Number	1866-16-6
PubChem CID	74630
IUPAC Name	2-butanoylsulfanylethyl(trimethyl)azanium iodide
Molecular Formula	C9H20INOS
Molecular Weight	317.23
Topological Polar Surface Area	42.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	13
Formal Charge	0
Complexity	140

SMILES

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

InChI

InChI=1S/C9H20NOS.HI/c1-5-6-9(11)12-8-7-10(2,3)4;/h5-8H2,1-4H3;1H/q+1;/p-1

InChIKey

WEQAAFZDJROSBF-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 1866-16-6

CID: 74630

Formula: C9H20INOS

MW: 317.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	317.23
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	317.03103
Monoisotopic Mass	317.03103
Topological Polar Surface Area	42.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	140
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
26608039	Butyrylthiocholine chloride
26608039-1g	Butyrylthiocholine chloride
30138282-01	Acetylthiocholine iodide
14137305-01	Propidium iodide
14137305-50mg	Propidium iodide
16080354-100g	Acetylcholine iodide
36409596-500g	Potassium iodide
90032344	Ammonium iodide
36409596-01	Potassium iodide
36409596-100g	Potassium iodide

Catalog	Name
GE8740-5g	Butyrylthiocholine iodide
FB52508-01	S-Butyrylthiocholine iodide
TXB-00283-01	S-n-Butyrylthiocholine iodide
HY-D0905-01	S-n-Butyrylthiocholine (iodide)
B31780-01	S-Butyrylthiocholine iodide 98%
82366-01	S-Butyrylthiocholine Iodide extrapure, 98%
ST2623-1g	S-Butyrylthiocholine iodide (≥98%, Reagent grade)
GE5713-5g	Butyrylthiocholine chloride
sc-258092A	S-Butyrylthiocholine chloride
MA-0228	Iodide