EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:64387 - thiosultap(1−)

ChEBI IDCHEBI:64387
ChEBI Namethiosultap(1−)
Stars
ASCII Namethiosultap(1-)
DefinitionA singly-charged S-alkyl thiosulfate anion obtained by deprotonation of one of the two thiosulfate OH grous of thiosultap.
Last Modified18 April 2012
SubmitterSteve
DownloadsMolfile
FormulaC5H12NO6S4
Net Charge-1
Average Mass310.420
Monoisotopic Mass309.95529
SMILESCN(C)C(CSS(=O)(=O)[O-])CSS(=O)(=O)O
InChIInChI=1S/C5H13NO6S4/c1-6(2)5(3-13-15(7,8)9)4-14-16(10,11)12/h5H,3-4H2,1-2H3,(H,7,8,9)(H,10,11,12)/p-1
InChIKeyPYNKFIVDSJSNGL-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
thiosultap(1−) (CHEBI:64387) is a S-alkyl thiosulfate anion (CHEBI:58619)
thiosultap(1−) (CHEBI:64387) is conjugate acid of thiosultap(2−) (CHEBI:64385)
thiosultap(1−) (CHEBI:64387) is conjugate base of thiosultap (CHEBI:39199)
Incoming Relation(s)
thiosultap monosodium (CHEBI:64386) has part thiosultap(1−) (CHEBI:64387)
thiosultap (CHEBI:39199) is conjugate acid of thiosultap(1−) (CHEBI:64387)
thiosultap(2−) (CHEBI:64385) is conjugate base of thiosultap(1−) (CHEBI:64387)
IUPAC Name 
S-[2-(dimethylamino)-3-(sulfosulfanyl)propyl] sulfurothioate
Synonym  Source
thiosultap monoanionChEBI