1,4-Dithiothreitol

Status : experimental

Description

A reagent commonly used in biochemical studies as a protective agent to prevent the oxidation of SH (thiol) groups and for reducing disulphides to dithiols. [PubChem]

Chemical Classification

This compound belongs to the class of organic compounds known as 1,2-diols. These are polyols containing an alcohol group at two adjacent positions.

1,2-diols

Organic compounds

Organooxygen compounds

Alcohols and polyols

Polyols

Calculated Property

kind Value Source
logP 0.18 ALOGPS
logS -1.5 ALOGPS
Water Solubility 5.14e+00 g/l ALOGPS
logP -0.28 ChemAxon
IUPAC Name (2S,3S)-1,4-disulfanylbutane-2,3-diol ChemAxon
Traditional IUPAC Name dithiothreitol ChemAxon
Molecular Weight 154.251 ChemAxon
Monoisotopic Weight 154.012220944 ChemAxon
SMILES O[C@H](CS)[C@H](O)CS ChemAxon
Molecular Formula C4H10O2S2 ChemAxon
InChI InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4-/m1/s1 ChemAxon
InChIKey InChIKey=VHJLVAABSRFDPM-QWWZWVQMSA-N ChemAxon
Polar Surface Area (PSA) 40.46 ChemAxon
Refractivity 38.84 ChemAxon
Polarizability 15.67 ChemAxon
Rotatable Bond Count 3 ChemAxon
H Bond Acceptor Count 2 ChemAxon
H Bond Donor Count 4 ChemAxon
pKa (strongest acidic) 9.62 ChemAxon
pKa (strongest basic) -3.3 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 0 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Protease synthase and sporulation negative regulatory protein PAI 1 : in Bacillus subtilis (strain 168)
  • Holo-[acyl-carrier-protein] synthase : in Bacillus subtilis (strain 168)
  • Histidinol dehydrogenase : in Escherichia coli (strain K12)
  • Shikimate dehydrogenase : in Escherichia coli (strain K12)
  • Galectin-1 : in Human
  • Calcium/calmodulin-dependent protein kinase type II subunit alpha : in Human
  • 50S ribosomal protein L27 : in Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579)
  • Retinal dehydrogenase 1 : in Human
  • Organic hydroperoxide resistance protein : in Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)
  • 3-carboxy-cis,cis-muconate cycloisomerase : in Pseudomonas putida
  • Transient receptor potential cation channel subfamily M member 7 : in Human
  • Unsaturated glucuronyl hydrolase : in Bacillus sp. (strain GL1)
  • Cyclic pyranopterin monophosphate synthase : in Staphylococcus aureus (strain MW2)
  • C protein alpha-antigen : in Streptococcus agalactiae serotype Ia (strain ATCC 27591 / A909 / CDC SS700)
  • Mitochondrial peptide methionine sulfoxide reductase : in Human
  • Chaperone protein TorD : in Shewanella massilia
  • Axin-1 : in Human
  • Peptidyl-prolyl cis-trans isomerase B : in Human
  • Amylosucrase : in Neisseria polysaccharea
  • Thymidylate synthase : in Escherichia coli (strain K12)
  • Triosephosphate isomerase : in Human
  • Maleylacetoacetate isomerase : in Human
  • 3-hydroxy-3-methylglutaryl-coenzyme A reductase : in Human
  • Listeriolysin regulatory protein : in Listeria monocytogenes serovar 1/2a (strain ATCC BAA-679 / EGD-e)