ETM
Summary
Name: | 2-(TRIMETHYLAMMONIUM)ETHYL THIOL |
Formula: | C5 H14 N S |
Formal charge: | 1 |
Formula weight: | 120.236 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | N,N,N-trimethyl-2-sulfanylethanaminium |
OpenEye OEToolkits | 1.5.0 | trimethyl-(2-sulfanylethyl)azanium |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | SCC[N+](C)(C)C |
SMILES_CANONICAL | CACTVS | 3.341 | C[N+](C)(C)CCS |
SMILES | CACTVS | 3.341 | C[N+](C)(C)CCS |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[N+](C)(C)CCS |
SMILES | OpenEye OEToolkits | 1.5.0 | C[N+](C)(C)CCS |
InChI | InChI | 1.03 | InChI=1S/C5H13NS/c1-6(2,3)4-5-7/h4-5H2,1-3H3/p+1 |
InChIKey | InChI | 1.03 | VFUGTBZQGUVGEX-UHFFFAOYSA-O |