UXS
Summary
| Name: | (2S)-2-amino-4-(methylsulfanyl)butan-1-ol |
| Formula: | C5 H13 N O S |
| Formal charge: | 0 |
| Formula weight: | 135.228 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-amino-4-(methylsulfanyl)butan-1-ol |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-4-methylsulfanyl-butan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(C(N)CCSC)O |
| InChI | InChI | 1.03 | InChI=1S/C5H13NOS/c1-8-3-2-5(6)4-7/h5,7H,2-4,6H2,1H3/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | MIQJGZAEWQQAPN-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSCC[C@H](N)CO |
| SMILES | CACTVS | 3.385 | CSCC[CH](N)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CSCC[C@@H](CO)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CSCCC(CO)N |
