General
Preferred name
benzo[d]thiazole-2(3h)-thione
Synonyms
2-MERCAPTOBENZOTHIAZOLE ()
Mercapto-2-benzothiazole, Benzothiazole-2-thiol, 2-MBT ()
Benzothiazole-2-Thiol ()
2-Mercaptobenzothioazole ()
P&D ID
PD001223
CAS
149-30-4
112242-83-8
Tags
natural product
drug
available
Drug Status
experimental
approved
vet_approved
Approved by
FDA
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
10
Drug Repurposing Hub
DrugBank
DrugBank Approved Drugs
DrugCentral
DrugMatrix
Enamine BioReference Compounds
MedChem Express Bioactive Compound Library
NCATS Inxight Approved Drugs
Selleckchem Bioactive Compound Library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
35
Properties
(calculated by RDKit )
Molecular Weight
166.99
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
0
Ring Count
2
Aromatic Ring Count
2
cLogP
2.58
TPSA
12.89
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.59
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolic Enzyme/Protease
Target
Endogenous Metabolite
Source data
