Chemical Components in the PDB

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9UT : Summary

Code

9UT

One-letter code

X

Molecule name

1,3-thiazole-2,4-dione

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 1,3-thiazole-2,4-dione

Formula

C3 H3 N O2 S

Formal charge

0

Molecular weight

117.126 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 O=C1NC(=O)[SH]=C1
SMILES OpenEye OEToolkits 2.0.6 C1=SC(=O)NC1=O
Canonical SMILES CACTVS 3.385 O=C1NC(=O)[SH]=C1
Canonical SMILES OpenEye OEToolkits 2.0.6 C1=SC(=O)NC1=O

IUPAC InChI

InChI=1S/C3H3NO2S/c5-2-1-7-3(6)4-2/h1,7H,(H,4,5,6)

IUPAC InChI key

OKCMWAHWBYXJPD-UHFFFAOYSA-N
9UT

wwPDB Information

Atom count

10 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-07-14

Last modified at

2018-10-05

Status

Released

Obsoleted

Not Assigned