sulfathiourea   Click here for help

GtoPdb Ligand ID: 12745

Synonyms: sulfathiocarbamide
Compound class: Synthetic organic
Comment: Sulfathiourea is a short-acting sulfonamide antibacterial compound.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 138.68
Molecular weight 231.3
XLogP -1.03
No. Lipinski's rules broken 0
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Canonical SMILES C1=C(C=CC(=C1)S(=O)(=O)NC(=S)N)N
Isomeric SMILES C1=CC(=CC=C1N)S(=O)(=O)NC(=S)N
InChI InChI=1S/C7H9N3O2S2/c8-5-1-3-6(4-2-5)14(11,12)10-7(9)13/h1-4H,8H2,(H3,9,10,13)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
4161 sulfathiourea
Synonyms Click here for help
Database Links Click here for help
Specialist databases
Antibiotic DB Antibiotic DB Database logo Sulfathiourea, sulfathiocarbamide
Other databases
CAS Registry No. 515-49-1 (source: Scifinder)
ChEBI CHEBI:131723
ChEMBL Ligand CHEMBL2107489
DrugBank Ligand DB13699
DrugCentral Ligand 3567
GtoPdb PubChem SID 483123293
PubChem CID 3000579
Search Google for chemical match using the InChIKey UEMLYRZWLVXWRU-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey UEMLYRZWLVXWRU-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey UEMLYRZWLVXWRU-UHFFFAOYSA-N