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Details

Stereochemistry ACHIRAL
Molecular Formula C7H8S2
Molecular Weight 156.268
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TOLUENE-3,4-DITHIOL

SMILES

CC1=CC=C(S)C(S)=C1

InChI

InChIKey=NIAAGQAEVGMHPM-UHFFFAOYSA-N
InChI=1S/C7H8S2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3

HIDE SMILES / InChI

Molecular Formula C7H8S2
Molecular Weight 156.268
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Electronic structures of [Ru(II)(cyclam)(Et(2)dtc)](+), [Ru(cyclam)(tdt)](+), and [Ru(cyclam)(tdt)](2+): an X-ray absorption spectroscopic and computational study (tdt = toluene-3,4-dithiolate; Et(2)dtc = N,N-diethyldithiocarbamate(1-)).
2009-10-19
Monoanionic {Mn(NO)}5 and dianionic {Mn(NO)}6 thiolatonitrosylmanganese complexes: [(NO)Mn(L)2]- and [(NO)Mn(L)2]2- (LH2 = 1,2-benzenedithiol and toluene-3,4-dithiol).
2008-12-01
Molecular and electronic structures of oxo-bis(benzene-1,2-dithiolato)chromate(V) monoanions. A combined experimental and density functional study.
2006-05-01
Dithiolate complexes of manganese and rhenium: X-ray structure and properties of an unusual mixed valence cluster Mn3(CO)6(mu-eta2-SCH2CH2CH2S)3.
2005-12-26
Analysis of chemical warfare agents III. Use of bis-nucleophiles in the trace level determination of phosgene and perfluoroisobutylene.
2005-12-09
Analysis of chemical warfare agents. II. Use of thiols and statistical experimental design for the trace level determination of vesicant compounds in air samples.
2005-03-18
Characterizing the influence of structure and route of exposure on the disposition of dithiocarbamates using toluene-3,4-dithiol analysis of blood and urinary carbon disulfide metabolites.
2003-11
New oxovanadium bis(1,2-dithiolate) compounds that mimic the hydrogen-bonding interactions at the active sites of mononuclear molybdenum enzymes.
2002-12-30
Effects of some non-steroidal anti-inflammatory drugs and other agents on cyclooxygenase and lipoxygenase activities in some enzyme preparations.
1985-06
Inhibition of coupling factor B activity by cadmium ion, arsenite-2,3-dimercaptopropanol, and phenylarsine oxide, and preferential reactivation by dithiols.
1981-11-10
Patents

Patents

Substance Class Chemical
Created
by admin
on Mon Mar 31 21:07:29 GMT 2025
Edited
by admin
on Mon Mar 31 21:07:29 GMT 2025
Record UNII
U89B11P7SC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TOLUENE-3,4-DITHIOL
MI  
Systematic Name English
NSC-5391
Preferred Name English
3,4-TOLUENEDITHIOL
Systematic Name English
3,4-DITHIOTOLUENE
Common Name English
1,2-DIMERCAPTO-4-METHYLBENZENE
Systematic Name English
DITHIOL
Systematic Name English
TOLUENE-3,4-DITHIOL [MI]
Common Name English
1-TOLUENE-3,4-DITHIOL
Common Name English
3,4-DIMERCAPTOTOLUENE
Systematic Name English
4-METHYL-1,2-DIMERCAPTOBENZENE
Systematic Name English
4-METHYL-1,2-BENZENEDITHIOL
Systematic Name English
3,4-DIMERCAPTOTOLUOL
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID7060093
Created by admin on Mon Mar 31 21:07:29 GMT 2025 , Edited by admin on Mon Mar 31 21:07:29 GMT 2025
PRIMARY
PUBCHEM
10334
Created by admin on Mon Mar 31 21:07:29 GMT 2025 , Edited by admin on Mon Mar 31 21:07:29 GMT 2025
PRIMARY
NSC
5391
Created by admin on Mon Mar 31 21:07:29 GMT 2025 , Edited by admin on Mon Mar 31 21:07:29 GMT 2025
PRIMARY
MERCK INDEX
m10960
Created by admin on Mon Mar 31 21:07:29 GMT 2025 , Edited by admin on Mon Mar 31 21:07:29 GMT 2025
PRIMARY Merck Index
ECHA (EC/EINECS)
207-828-3
Created by admin on Mon Mar 31 21:07:29 GMT 2025 , Edited by admin on Mon Mar 31 21:07:29 GMT 2025
PRIMARY
FDA UNII
U89B11P7SC
Created by admin on Mon Mar 31 21:07:29 GMT 2025 , Edited by admin on Mon Mar 31 21:07:29 GMT 2025
PRIMARY
CAS
496-74-2
Created by admin on Mon Mar 31 21:07:29 GMT 2025 , Edited by admin on Mon Mar 31 21:07:29 GMT 2025
PRIMARY