Molecular Identity
Benzothiazole
1,3-benzothiazole
PubChem CID: 7222
Benzothiazole is an organic heterobicyclic compound that is a fusion product between benzene and thiazole. The parent of the class of benzothiazoles. It has a role as a xenobiotic, a plant metabolite and an environmental contaminant.
2D Structure
Properties
C7H5NS
Molecular Formula
135.19
Molecular Weight
g/mol
135.0143
Exact Mass
Da
2
XLogP
Drug-like (Lipinski: < 5)
41.1
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
2
H-Bond Acceptors
105
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC=C2C(=C1)N=CS2Isomeric SMILES
SMILES: C1=CC=C2C(=C1)N=CS2Synonyms(20)
BENZOTHIAZOLE95-16-91,3-BenzothiazoleBenzosulfonazole1-Thia-3-azaindeneVangard BTUSAF EK-4812FEMA No. 3256FEMA Number 3256DTXSID7024586O-2857CHEBI:45993G5BW2593EPNSC-8040DTXCID204586
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Benzothiazole
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