Structure

InChI Key XOAAWQZATWQOTB-UHFFFAOYSA-N
Smile NCCS(=O)(=O)O
InChI
InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H7NO3S
Molecular Weight 125.15
AlogP -1.17
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 80.39
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 7.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypertension 3 D006973 ClinicalTrials
Bipolar Disorder 2 D001714 ClinicalTrials
Mental Disorders 2 D001523 ClinicalTrials
Diabetes Mellitus, Type 2 2 D003924 ClinicalTrials
Multiple Sclerosis 1 D009103 ClinicalTrials
Homocystinuria 1 D006712 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 107-35-7
ChEBI 507393
ChEMBL CHEMBL239243
DrugBank DB01956
DrugCentral 4486
EPA CompTox DTXSID3021304
FDA SRS 1EQV5MLY3D
Human Metabolome Database HMDB0000251
Guide to Pharmacology 2379
KEGG C00245
PDB TAU
PubChem 1123
SureChEMBL SCHEMBL23068
ZINC ZINC000003809490