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SDQ : Summary

Code

SDQ

One-letter code

X

Molecule name

phenylmethanethiol

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 phenylmethanethiol

Formula

C7 H8 S

Formal charge

0

Molecular weight

124.203 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 SCc1ccccc1
SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)CS
Canonical SMILES CACTVS 3.385 SCc1ccccc1
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)CS

IUPAC InChI

InChI=1S/C7H8S/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2

IUPAC InChI key

UENWRTRMUIOCKN-UHFFFAOYSA-N
SDQ

wwPDB Information

Atom count

16 (8 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-11-13

Last modified at

2024-09-27

Status

Released

Obsoleted

Not Assigned