MTG
Summary
Name: | [METHYLTHIO]ACETATE |
Formula: | C3 H5 O2 S |
Formal charge: | -1 |
Formula weight: | 105.136 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | (methylsulfanyl)acetate |
OpenEye OEToolkits | 1.5.0 | 2-methylsulfanylethanoate |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | [O-]C(=O)CSC |
SMILES_CANONICAL | CACTVS | 3.341 | CSCC([O-])=O |
SMILES | CACTVS | 3.341 | CSCC([O-])=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CSCC(=O)[O-] |
SMILES | OpenEye OEToolkits | 1.5.0 | CSCC(=O)[O-] |
InChI | InChI | 1.03 | InChI=1S/C3H6O2S/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)/p-1 |
InChIKey | InChI | 1.03 | HGTBAIVLETUVCG-UHFFFAOYSA-M |