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Structure
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|
| Relationships |
Total Number of functionally related protein(s) :
8
Total Number of Articles : 6
|
| PubChem |
3015121
|
| Molecular Formula |
C9H20ClNOS |
| SMILES |
CCCC(=O)SCC[N+](C)(C)C.[Cl-] |
| InChI |
InChI=1S/C9H20NOS.ClH/c1-5-6-9(11)12-8-7-10(2,3)4;/h5-8H2,1-4H3;1H/q+1;/p-1 |
| synonyms |
- S-Butyrylthiocholine chloride
- 22026-63-7
- butyrylthiocholine chloride
- S-Butyrylthiocholine (chloride)
- 2-butanoylsulfanylethyl(trimethyl)azanium;chloride
- 2-butanoylsulfanylethyl(trimethyl)azanium chloride
- S-BUTYRYLTHIOCHOLINECHLORIDE
- (2-(Butyrylthio)ethyl)trimethylammonium chloride
- SCHEMBL5450062
- DTXSID80944630
- QYNZLUZQWOCGCH-UHFFFAOYSA-M
- EINECS 244-731-5
- MFCD00050241
- AKOS015833148
- NS00049802
- Ammonium, (2-mercaptoethyl)trimethyl-, chloride, butyrate
- 2-(Butanoylsulfanyl)-N,N,N-trimethylethan-1-aminium chloride
- S-Butyrylthiocholine chloride is alos known as (2-(Butyrylthio)ethyl)trimethylammonium chloride.
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| Properties |
| Property |
Value |
| MW |
225.78 g/mol |
| HBD |
0 |
| HBA |
3 |
| Rotatable Bond Count |
6 |
| Exact Mass |
225.0954131 g/mol |
| Monoisotopic Mass |
225.0954131 g/mol |
| Heavy Atom Count |
13 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
2 |
| Complexity |
140 |
| xlogp |
None |
| Topological Polar Surface Area |
42.4 |
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