Dithiothreitol (CED0000734)

Record Information

Version

1.0

Creation Date

2026-04-05 11:43:10 UTC

Update Date

2026-04-13 21:24:26 UTC

Accession Number

CHEM100503

Identification

Common Name

Dithiothreitol

Class

Small Molecule

Description

Dithiothreitol is an organic compound with the formula C4H10O2S2 and an average molecular weight of 154.24 g/mol. Dithiothreitol belongs to the alcohols and polyols, a subclass of organooxygen compounds within the organic compounds. It is utilized as an industrial reducing agent (PMC4554410). The compound is associated with seven recorded sources. These include household cleaning and consumer products such as pipe accessories, as well as building and construction materials like ceilings. It is also found in electrical and electronic equipment, specifically radio transmission systems and antennas. Additionally, it is linked to food, food processing, and cookware, including the processing of fish and the preparation of wort and malt. Regarding its biological activity, dithiothreitol has one recorded protein target, which is 6,7-dimethyl-8-ribityllumazine synthase (ribH).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
(2S,3S)-1,4-Dimercaptobutane-2,3-diol	ChEBI
D-DTT	ChEBI
D-Threo-1,4-dimercapto-2,3-butanediol	ChEBI
Cleland's reagent	MeSH, HMDB, HMDB, HMDB, HMDB
Clelands reagent	MeSH, HMDB, HMDB, HMDB, HMDB
Reagent, cleland	MeSH, HMDB, HMDB, HMDB, HMDB
Sputolysin	MeSH, HMDB, HMDB, HMDB, HMDB
Cleland reagent	MeSH, HMDB, HMDB, HMDB, HMDB
Reagent, cleland's	MeSH, HMDB, HMDB, HMDB, HMDB
Dithiothreitol	MeSH, HMDB, HMDB, HMDB, HMDB

Chemical Formula

C₄H₁₀O₂S₂

Average Molecular Mass

154.240 g/mol

Monoisotopic Mass

154.012 g/mol

CAS Registry Number

27565-41-9

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

O[C@H](CS)[C@H](O)CS

InChI Identifier

InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4-/m1/s1

InChI Key

VHJLVAABSRFDPM-QWWZWVQMSA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Alcohols and polyols

Direct Parent

1,2-diols

Alternative Parents

Substituents

Secondary alcohol
1,2-diol
Alkylthiol
Hydrocarbon derivative
Organosulfur compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

1,4-dithiothreitol (CHEBI:42170 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-004i-9100000000-3ef0f66522eb59a011a5	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-0900000000-2357c61b9304010e6df2	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-0900000000-d38dd45fa0d60f965b3d	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-3900000000-09794da11f5c44ce035f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-3900000000-373bc79ecd0741d231d9	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0zgi-6900000000-658ff776b350aa570be3	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-05gr-9200000000-1a1762c6117c49a4dfcb	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
1001.0	Log mg/kg	[560:1800]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
495	Ceilings	Building & Construction	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
530	Radio Transmission Systems	Electrical & Electronic Equipment	Not Available
547	Preparation Of Malt	Food, food processing & cookware	Not Available
550	Preparation Of Wort	Food, food processing & cookware	Not Available
551	Processing Fish	Food, food processing & cookware	Not Available
562	Pipe Accessories	Household cleaning & consumer products	Not Available
612	Body Washing Or Cleaning Implements	Personal care & cosmetics	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Phosphoheptose isomerase	Q93UJ2	Burkholderia pseudomallei (strain K96243)	Predicted (SEA)	7.47353
Click to view 3D structure	Fructose-bisphosphate aldolase, glycosomal	P07752	Trypanosoma brucei brucei	Predicted (SEA)	7.23998
Click to view 3D structure	Aminopeptidase B	O09175	Rattus norvegicus	Predicted (SEA)	1031.74
Click to view 3D structure	Angiotensin-converting enzyme	P12821	Humans	Predicted (SEA)	4445.11
Click to view 3D structure	Carboxypeptidase A1	P00730	Bos taurus	Predicted (SEA)	1562.75
Click to view 3D structure	Glucose-6-phosphate isomerase	Q9N1E2	Oryctolagus cuniculus	Predicted (SEA)	31.6068
Click to view 3D structure	Neprilysin	P08049	Oryctolagus cuniculus	Predicted (SEA)	3522.76
Click to view 3D structure	TyR1	H9TVJ1	Chilo suppressalis	Predicted (SEA)	155.543
Click to view 3D structure	Glutamyl aminopeptidase	Q07075	Humans	Predicted (SEA)	406.062
Click to view 3D structure	Succinyl-diaminopimelate desuccinylase	P44514	Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)	Predicted (SEA)	83.4544
Click to view 3D structure	CAI-1 autoinducer sensor kinase/phosphatase CqsS	Q9KM66	Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)	Predicted (SEA)	152.662
Click to view 3D structure	Carboxypeptidase B2	Q96IY4	Humans	Predicted (SEA)	3236.5
Click to view 3D structure	Angiotensin-converting enzyme	P47820	Rattus norvegicus	Predicted (SEA)	4812.09
Click to view 3D structure	Alpha-2A adrenergic receptor	Q01338	Mus musculus	Predicted (SEA)	319.104
Click to view 3D structure	Alpha-2C adrenergic receptor	Q01337	Mus musculus	Predicted (SEA)	319.104
Click to view 3D structure	Leucine aminopeptidase	Q29571	Sus scrofa	Predicted (SEA)	0.778492
Click to view 3D structure	Aminopeptidase N	P15145	Sus scrofa	Predicted (SEA)	578.264
Click to view 3D structure	Aminopeptidase N	P15144	Humans	Predicted (SEA)	780.594
Click to view 3D structure	Metallo-beta-lactamase type 2	C7C422	Klebsiella pneumoniae	Predicted (SEA)	357.172
Click to view 3D structure	Carboxypeptidase M	P14384	Humans	Predicted (SEA)	6.85073
Click to view 3D structure	Ribose-5-phosphate isomerase B	P9WKD7	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	Predicted (SEA)	11.4438
Click to view 3D structure	Neprilysin	P08473	Humans	Predicted (SEA)	3878.37
Click to view 3D structure	Angiotensin-converting enzyme	P12822	Oryctolagus cuniculus	Predicted (SEA)	2763.57
Click to view 3D structure	6-phosphogluconolactonase	Q9GRG6	Trypanosoma brucei	Predicted (SEA)	13.935
Click to view 3D structure	Neprilysin	P07861	Rattus norvegicus	Predicted (SEA)	3023.43