MS6
(2S)-2-amino-4-(methylsulfanyl)butane-1-thiol
Created: | 2020-09-03 |
Last modified: | 2024-09-27 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 21 |
Chiral Atom Count | 1 |
Bond Count | 20 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
---|---|
Name | (2S)-2-amino-4-(methylsulfanyl)butane-1-thiol |
Systematic Name (OpenEye OEToolkits) | (2~{S})-2-azanyl-4-methylsulfanyl-butane-1-thiol |
Formula | C5 H13 N S2 |
Molecular Weight | 151.293 |
Type | NON-POLYMER |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(N)(CS)CCSC |
SMILES | CACTVS | 3.385 | CSCC[CH](N)CS |
SMILES | OpenEye OEToolkits | 2.0.7 | CSCCC(CS)N |
Canonical SMILES | CACTVS | 3.385 | CSCC[C@H](N)CS |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CSCC[C@@H](CS)N |
InChI | InChI | 1.03 | InChI=1S/C5H13NS2/c1-8-3-2-5(6)4-7/h5,7H,2-4,6H2,1H3/t5-/m0/s1 |
InChIKey | InChI | 1.03 | NSPBTQHSHXESOT-YFKPBYRVSA-N |
Related Resource References
Resource Name | Reference |
---|---|
PubChem | 22885599 |
ChEMBL | CHEMBL36661 |