Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

UDI

Summary
Name:butane-1,4-dithiol
Synonyms:1,2-dithiane 1-oxide (reacted)
Formula:C4 H10 S2
Formal charge:0
Formula weight:122.252 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7butane-1,4-dithiol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C4H10S2/c5-3-1-2-4-6/h5-6H,1-4H2
InChIKeyInChI1.06SMTOKHQOVJRXLK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385SCCCCS
SMILESCACTVS3.385SCCCCS
SMILES_CANONICALOpenEye OEToolkits2.0.7C(CCS)CS
SMILESOpenEye OEToolkits2.0.7C(CCS)CS

222415

PDB entries from 2024-07-10

PDB statisticsPDBj update infoContact PDBjnumon