Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PS9 : Summary

Code

PS9

One-letter code

X

Molecule name

octathiocane

Systematic names

ProgramVersionName
ACDLabs 10.04 octathiocane
OpenEye OEToolkits 1.5.0 1,2,3,4,5,6,7,8-octathiocane

Formula

S8

Formal charge

0

Molecular weight

256.52 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 S1SSSSSSS1
SMILES CACTVS 3.341 S1SSSSSSS1
SMILES OpenEye OEToolkits 1.5.0 S1SSSSSSS1
Canonical SMILES CACTVS 3.341 S1SSSSSSS1
Canonical SMILES OpenEye OEToolkits 1.5.0 S1SSSSSSS1

IUPAC InChI

InChI=1S/S8/c1-2-4-6-8-7-5-3-1

IUPAC InChI key

JLQNHALFVCURHW-UHFFFAOYSA-N
PS9

wwPDB Information

Atom count

8 (8 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-04-17

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned