Chemical Components in the PDB

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DMS : Summary

Code

DMS

One-letter code

X

Molecule name

DIMETHYL SULFOXIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 dimethyl sulfoxide
OpenEye OEToolkits 1.5.0 methylsulfinylmethane

Formula

C2 H6 O S

Formal charge

0

Molecular weight

78.133 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 sulfinyldimethane
SMILES CACTVS 3.341 C[S](C)=O
SMILES OpenEye OEToolkits 1.5.0 CS(=O)C
Canonical SMILES CACTVS 3.341 C[S](C)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CS(=O)C

IUPAC InChI

InChI=1S/C2H6OS/c1-4(2)3/h1-2H3

IUPAC InChI key

IAZDPXIOMUYVGZ-UHFFFAOYSA-N
DMS

wwPDB Information

Atom count

10 (4 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned