CC8
Summary
Name: | (2S)-2-METHYL-3-SULFANYLPROPANOIC ACID |
Formula: | C4 H8 O2 S |
Formal charge: | 0 |
Formula weight: | 120.17 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | (2S)-2-methyl-3-sulfanylpropanoic acid |
OpenEye OEToolkits | 1.6.1 | (2S)-2-methyl-3-sulfanyl-propanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(C)CS |
SMILES_CANONICAL | CACTVS | 3.352 | C[C@H](CS)C(O)=O |
SMILES | CACTVS | 3.352 | C[CH](CS)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | C[C@H](CS)C(=O)O |
SMILES | OpenEye OEToolkits | 1.6.1 | CC(CS)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C4H8O2S/c1-3(2-7)4(5)6/h3,7H,2H2,1H3,(H,5,6)/t3-/m1/s1 |
InChIKey | InChI | 1.03 | MHRDCHHESNJQIS-GSVOUGTGSA-N |