Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

LW1 : Summary

Code

LW1

One-letter code

X

Molecule name

thiophene-2-carbaldehyde

Systematic names

ProgramVersionName
ACDLabs 12.01 thiophene-2-carbaldehyde
OpenEye OEToolkits 2.0.6 thiophene-2-carbaldehyde

Formula

C5 H4 O S

Formal charge

0

Molecular weight

112.15 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C(c1cccs1)=O
SMILES CACTVS 3.385 O=Cc1sccc1
SMILES OpenEye OEToolkits 2.0.6 c1cc(sc1)C=O
Canonical SMILES CACTVS 3.385 O=Cc1sccc1
Canonical SMILES OpenEye OEToolkits 2.0.6 c1cc(sc1)C=O

IUPAC InChI

InChI=1S/C5H4OS/c6-4-5-2-1-3-7-5/h1-4H

IUPAC InChI key

CNUDBTRUORMMPA-UHFFFAOYSA-N
LW1

wwPDB Information

Atom count

11 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-04-20

Last modified at

2019-06-07

Status

Released

Obsoleted

Not Assigned