U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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(S)=C(S)C=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
Inhibition of coupling factor B activity by cadmium ion, arsenite-2,3-dimercaptopropanol, and phenylarsine oxide, and preferential reactivation by dithiols.
1981 Nov 10
New oxovanadium bis(1,2-dithiolate) compounds that mimic the hydrogen-bonding interactions at the active sites of mononuclear molybdenum enzymes.
2002 Dec 30
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 Dec 1
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 Oct 19
Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 02:03:19 GMT 2023
Edited
by admin
on Sat Dec 16 02:03:19 GMT 2023
Record UNII
U89B11P7SC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TOLUENE-3,4-DITHIOL
MI  
Systematic 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
NSC-5391
Code English
Code System Code Type Description
EPA CompTox
DTXSID7060093
Created by admin on Sat Dec 16 02:03:19 GMT 2023 , Edited by admin on Sat Dec 16 02:03:19 GMT 2023
PRIMARY
PUBCHEM
10334
Created by admin on Sat Dec 16 02:03:19 GMT 2023 , Edited by admin on Sat Dec 16 02:03:19 GMT 2023
PRIMARY
NSC
5391
Created by admin on Sat Dec 16 02:03:19 GMT 2023 , Edited by admin on Sat Dec 16 02:03:19 GMT 2023
PRIMARY
MERCK INDEX
m10960
Created by admin on Sat Dec 16 02:03:19 GMT 2023 , Edited by admin on Sat Dec 16 02:03:19 GMT 2023
PRIMARY Merck Index
ECHA (EC/EINECS)
207-828-3
Created by admin on Sat Dec 16 02:03:19 GMT 2023 , Edited by admin on Sat Dec 16 02:03:19 GMT 2023
PRIMARY
FDA UNII
U89B11P7SC
Created by admin on Sat Dec 16 02:03:19 GMT 2023 , Edited by admin on Sat Dec 16 02:03:19 GMT 2023
PRIMARY
CAS
496-74-2
Created by admin on Sat Dec 16 02:03:19 GMT 2023 , Edited by admin on Sat Dec 16 02:03:19 GMT 2023
PRIMARY