Chemical Components in the PDB

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P6H : Summary

Code

P6H

One-letter code

X

Molecule name

(2-methylsulfonylphenyl)methanol

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (2-methylsulfonylphenyl)methanol

Formula

C8 H10 O3 S

Formal charge

0

Molecular weight

186.228 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 C[S](=O)(=O)c1ccccc1CO
SMILES OpenEye OEToolkits 2.0.7 CS(=O)(=O)c1ccccc1CO
Canonical SMILES CACTVS 3.385 C[S](=O)(=O)c1ccccc1CO
Canonical SMILES OpenEye OEToolkits 2.0.7 CS(=O)(=O)c1ccccc1CO

IUPAC InChI

InChI=1S/C8H10O3S/c1-12(10,11)8-5-3-2-4-7(8)6-9/h2-5,9H,6H2,1H3

IUPAC InChI key

RKXFAGRISWUJGO-UHFFFAOYSA-N
P6H

wwPDB Information

Atom count

22 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-04-16

Last modified at

2020-09-18

Status

Released

Obsoleted

Not Assigned