CC(=O)SCC[N+](C)(C)C
CAS: 4468-05-7
الاسم: 2-acetylsulfanylethyl(trimethyl)azanium
SMILES: CC(=O)SCC[N+](C)(C)C

Molecular Processing

Molecular formula
C7H16NOS+
Molecular weight
162.28
Exact mass
162.0947
XLogP
0.97
TPSA
17.07
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
10
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
1
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.857
Molar refractivity
46.04

Supplementary Information

InChIKey: GFFIJCYHQYHUHB-UHFFFAOYSA-N
مرادفات
ACETYLTHIOCHOLINE4468-05-74V9VG6MX6EDTXSID90196269Ethanaminium, 2-(acetylthio)-N,N,N-trimethyl-(2-Mercaptoethyl)trimethylammonium AcetateRefChem:915008DTXCID501187602-acetylsulfanylethyl(trimethyl)azanium2-(acetylsulfanyl)-N,N,N-trimethylethanaminiumS-AcetylthiocholineGFFIJCYHQYHUHB-UHFFFAOYSA-N2ha5Lopac-A-5626UNII-4V9VG6MX6ELopac0_000058SCHEMBL77666BDBM8959CHEMBL1231076PDSP1_000368PDSP2_000366STL257106AKOS022097766CCG-204153NCGC00015069-01NCGC00015069-02NCGC00015069-03NCGC00015069-04NCGC00162055-012-(ACETYLTHIO)-N,N,N-TRIMETHYLETHANAMINIUM
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