Chemical Components in the PDB

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A65 : Summary

Code

A65

One-letter code

X

Molecule name

[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]methanol

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 [3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]methanol

Formula

C6 H9 N O S3

Formal charge

0

Molecular weight

207.337 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CSc1snc(SC)c1CO
SMILES OpenEye OEToolkits 2.0.6 CSc1c(c(sn1)SC)CO
Canonical SMILES CACTVS 3.385 CSc1snc(SC)c1CO
Canonical SMILES OpenEye OEToolkits 2.0.6 CSc1c(c(sn1)SC)CO

IUPAC InChI

InChI=1S/C6H9NOS3/c1-9-5-4(3-8)6(10-2)11-7-5/h8H,3H2,1-2H3

IUPAC InChI key

SIFVTEYXNRZCMI-UHFFFAOYSA-N
A65

wwPDB Information

Atom count

20 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-08-16

Last modified at

2017-10-27

Status

Released

Obsoleted

Not Assigned