Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

Explore the latest updates on our new PDBe-KB ligand pages, now with PDBeChem functionality and many more features.

EUF : Summary

Code

EUF

One-letter code

X

Molecule name

2-(ethyldisulfanyl)-1,3-benzothiazole

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 2-(ethyldisulfanyl)-1,3-benzothiazole

Formula

C9 H9 N S3

Formal charge

0

Molecular weight

227.369 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCSSc1sc2ccccc2n1
SMILES OpenEye OEToolkits 2.0.7 CCSSc1nc2ccccc2s1
Canonical SMILES CACTVS 3.385 CCSSc1sc2ccccc2n1
Canonical SMILES OpenEye OEToolkits 2.0.7 CCSSc1nc2ccccc2s1

IUPAC InChI

InChI=1S/C9H9NS3/c1-2-11-13-9-10-7-5-3-4-6-8(7)12-9/h3-6H,2H2,1H3

IUPAC InChI key

JJOOBYVUSPDHJX-UHFFFAOYSA-N
EUF

wwPDB Information

Atom count

22 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-01-27

Last modified at

2024-09-27

Status

Released

Obsoleted

Not Assigned