Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

MSM : Summary

Code

MSM

One-letter code

X

Molecule name

(METHYLSULFANYL)METHANE

Systematic names

ProgramVersionName
ACDLabs 10.04 dimethyl sulfide
OpenEye OEToolkits 1.5.0 methylsulfanylmethane

Formula

C2 H6 S

Formal charge

0

Molecular weight

62.134 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 sulfanediyldimethane
SMILES CACTVS 3.341 CSC
SMILES OpenEye OEToolkits 1.5.0 CSC
Canonical SMILES CACTVS 3.341 CSC
Canonical SMILES OpenEye OEToolkits 1.5.0 CSC

IUPAC InChI

InChI=1S/C2H6S/c1-3-2/h1-2H3

IUPAC InChI key

QMMFVYPAHWMCMS-UHFFFAOYSA-N
MSM

wwPDB Information

Atom count

9 (3 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2004-11-02

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned