PDB Chemical Component TSM

Ideal Model

Chemical Description

Name 2-methylpropane-2-sulfonic acid
Formula C4 H10 O3 S
Formal charge 0
Molecular weight 138.185 g/mol
Component type NON-POLYMER

Chemical features

Atom count 18
Chiral atom count 0
Observed leaving atoms O3 H10
Bond count 17
Aromatic bond count 0

Chemical Identifiers

Systematic name (ACDLabs) 2-methylpropane-2-sulfonic acid
Systematic name (OpenEye OEToolkits) 2-methylpropane-2-sulfonic acid

Chemical Descriptors

Stereo SMILES (CACTVS) CC(C)(C)[S](O)(=O)=O
SMILES (CACTVS) CC(C)(C)[S](O)(=O)=O
Stereo SMILES (OpenEye) CC(C)(C)S(=O)(=O)O
InChI descriptor InChI=1S/C4H10O3S/c1-4(2,3)8(5,6)7/h1-3H3,(H,5,6,7)
InChIKey descriptor XCJGLBWDZKLQCY-UHFFFAOYSA-N

Status Information

Last modified 2010-06-11
Created 1999-07-08
Release status REL
Model PDB code 1EPR
Processing site EBI