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Acetylthiocholine Iodide

CAT: 0572-TRC-A164610-5GSize: 5 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-A164610-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1866-15-5
Hazard Statement
Toxic in contact with skin; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
[I-].CC(=O)SCC[N+](C)(C)C
Molecular Formula
C7 H16 N O S . I
Molecular Weight
289.1775
InChI
InChI=1S/C7H16NOS.HI/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1
Additionnal Information
IUPAC name: 2-acetylsulfanylethyl(trimethyl)azanium;iodide
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Acetylthiocholine iodide

structure in first source

CAS Number1866-15-5
PubChem CID74629
IUPAC Name2-acetylsulfanylethyl(trimethyl)azanium iodide
Molecular FormulaC7H16INOS
Molecular Weight289.18
Topological Polar Surface Area42.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count11
Formal Charge0
Complexity117
SMILES
CC(=O)SCC[N+](C)(C)C.[I-]
InChI
InChI=1S/C7H16NOS.HI/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1
InChIKey
NTBLZMAMTZXLBP-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Acetylthiocholine iodide
CAS: 1866-15-5
CID: 74629
Formula: C7H16INOS
MW: 289.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight289.18
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass288.99973
Monoisotopic Mass288.99973
Topological Polar Surface Area42.4 Ų
Heavy Atom Count11
Formal Charge0
Complexity117
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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