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Acetylthiocholine chloride

CAT: 0931-TXB-00545-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-TXB-00545-01Size:100 mg
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CAS Number
6050-81-3
Bioactivity
Acetylthiocholine chloride is a reagent used in biochemical reactions.
Smiles
[Cl-].O=C(SCC[N+](C)(C)C)C
Molecular Formula
C7H16ClNOS
Molecular Weight
197.73
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Acetylthiocholine Chloride
CAS Number6050-81-3
PubChem CID22411
IUPAC Name2-acetylsulfanylethyl(trimethyl)azanium chloride
Molecular FormulaC7H16ClNOS
Molecular Weight197.73
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.[Cl-]
InChI
InChI=1S/C7H16NOS.ClH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1
InChIKey
GZYVLKKMMDFCKR-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Acetylthiocholine Chloride
CAS: 6050-81-3
CID: 22411
Formula: C7H16ClNOS
MW: 197.73
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight197.73
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass197.0641130
Monoisotopic Mass197.0641130
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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Alternative Products

CatalogName
440891-01Acetylthiocholine Chloride
HY-W140953-01Acetylthiocholine (chloride)
TRC-A164610-1GAcetylthiocholine Iodide
EA66467Acetylthiocholine bromide
HY-D0904Acetylthiocholine (iodide)

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