3,7-Dithia-1,9-nonanedithiol
Product Information
Molecular Formula
C7H16S4
Molecular Weight
228.46
Description
3,7-Dithia-1,9-nonanedithiol has promising antimicrobial capabilities, making it a potential candidate against bacterial and fungal infections.
Synonyms
1,3-Bis(2-mercaptoethylthio)propane||||2,2'-(Trimethylenedithio)diethanethiol
IUPAC Name
2-[3-(2-sulfanylethylsulfanyl)propylsulfanyl]ethanethiol
SMILES
C(CSCCS)CSCCS
InChI
InChI=1S/C7H16S4/c8-2-6-10-4-1-5-11-7-3-9/h8-9H,1-7H2
InChI Key
XYHKMRNYSMEEDT-UHFFFAOYSA-N
Boiling Point
350.1±37.0 °C(Predicted)
Purity
>97.0%(GC)(T)
Density
1.18
Appearance
Light orange to Yellow to Green clear liquid
Refractive Index
1.5930 to 1.5970
Safety Information
Hazards
H302+H312+H332:
Harmful if swallowed.
Harmful in contact with skin.
Harmful if inhaled.
Harmful if swallowed.
Harmful in contact with skin.
Harmful if inhaled.
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.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.
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.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.
Computed Properties
XLogP3
2.5
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
8
Exact Mass
228.01348520 g/mol
Monoisotopic Mass
228.01348520 g/mol
Topological Polar Surface Area
52.6Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
59.5
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
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-114057995-A | Underfill material and preparation method and application thereof | 2021-12-16 |
| CN-114031744-A | Diisocyanate carbomethoxycyclohexane composition, modified composition thereof and preparation method | 2021-11-29 |
| CN-113980238-A | Xylylene diisocyanate composition and preparation method and application thereof | 2021-10-27 |
| CN-113461941-A | Preparation method of multiple shape memory material | 2021-07-30 |
| CN-112661930-A | Xylylene diisocyanate composition and optical resin | 2020-11-27 |
| US-2022056161-A1 | Articles comprising crosslinked polymer network comprising thioether crosslinks and process of making and using same | 2020-08-21 |
| CN-113943521-A | Anti-yellowing UV-LED curable coating composition | 2020-07-17 |
| WO-2022012694-A1 | Uv-led curable and yellowing resistant coating composition | 2020-07-17 |
| WO-2022009882-A1 | Polyisocyanate composition, method for producing polyisocyanate composition, two-component resin raw material, coating material, adhesive agent, and resin | 2020-07-10 |
| JP-2022015484-A | Active energy ray-curable composition, cured product, lens and camera module | 2020-07-09 |
