2,5-Diamino-1,4-benzenedithiol dihydrochloride
Product Information
Molecular Formula
C6H8N2S2.2(HCl)
Molecular Weight
245.19
Description
2,5-Diamino-1,4-benzenedithiol dihydrochloride is a molecular entity applied in the advanced interdisciplinary field of oncological investigations. It demonstrates promise in the process of bioactive compound creation, adept at ushering in programmed cellular destruction, commonly referred to as apoptosis, in cells that bear the telltale signs of malignant transformation.
Synonyms
2,5-DIAMINO-1,4-BENZENEDITHIOL DIHYDROCHLORIDE; 2,5-DIMERCAPTO-1,4-PHENYLENEDIAMINE DIHYDROCHLORIDE; 1,4-Diamino-2,5-benzenedithiol·dihydrochloride; 2,5-Diaminobenzene-1,4-bisthiol·dihydrochloride
IUPAC Name
2,5-diaminobenzene-1,4-dithioldihydrochloride
SMILES
C1=C(C(=CC(=C1S)N)S)N.Cl.Cl
InChI
InChI=1S/C6H8N2S2.2ClH/c7-3-1-5(9)4(8)2-6(3)10/h1-2,9-10H,7-8H22*1H
InChI Key
HVXLKRWRWNFGBA-UHFFFAOYSA-N
Boiling Point
420.1°C at 760 mmHg
Melting Point
210°C(dec.)(lit.)
Purity
>97.0%(LC)(N)
Safety Information
Hazards
H302+H312+H332:
Harmful if swallowed.
Harmful in contact with skin.
Harmful if inhaled.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Harmful if swallowed.
Harmful in contact with skin.
Harmful if inhaled.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P261:
Avoid breathing dust, fumes, gas, mist, vapours, spray. [As modified by IV ATP].
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352+P312:
IF ON SKIN:
Wash with plenty of soap and water.
Call a POISON CENTER or doctor/physician if you feel unwell.
P304+P340+P312:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
Call a POISON CENTER or doctor/physician if you feel unwell.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
Avoid breathing dust, fumes, gas, mist, vapours, spray. [As modified by IV ATP].
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352+P312:
IF ON SKIN:
Wash with plenty of soap and water.
Call a POISON CENTER or doctor/physician if you feel unwell.
P304+P340+P312:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
Call a POISON CENTER or doctor/physician if you feel unwell.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
Computed Properties
Hydrogen Bond Donor Count
6
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
0
Exact Mass
243.9662461 g/mol
Monoisotopic Mass
243.9662461 g/mol
Topological Polar Surface Area
54Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
106
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
3
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-114113064-A | Photoresponse oxidase based on benzodithiazole, preparation method thereof and application of photoresponse oxidase in colorimetric detection of glutathione in food | 2021-12-27 |
| CN-113248693-A | Wide-bandgap polymer donor material based on benzodithiazole electron-deficient unit and preparation method and application thereof | 2021-05-11 |
| CN-113956271-A | Light down-conversion material and preparation method thereof, light down-conversion adhesive film and photovoltaic module | 2020-07-05 |
| CN-110790932-A | Preparation of benzo-bis-thiazolyl covalent organic framework material and application of benzo-bis-thiazolyl covalent organic framework material in super capacitor | 2019-11-12 |
| CN-110790932-B | Preparation of benzo-bis-thiazolyl covalent organic framework material and application of benzo-bis-thiazolyl covalent organic framework material in super capacitor | 2019-11-12 |
| CN-112397762-A | Solid-state battery | 2019-08-13 |
| CN-112448100-A | Organic-inorganic composite solid electrolyte diaphragm and preparation and application thereof | 2019-08-13 |
| CN-110041508-B | Star-shaped conjugated structure polymer and preparation method and application thereof | 2019-04-19 |
| CN-109880095-B | High-temperature-resistant sulfonated polybenzothiazole imide proton exchange membrane and preparation method thereof | 2019-02-18 |
| WO-2020129836-A1 | Thermoelectric conversion material, and thermoelectric conversion element prepared therewith | 2018-12-18 |
