3,7-Dithia-1,9-nonanedithiol

Inquiry

Molecular Formula:

C7H16S4

Molecular Weight:

228.46

CAS Number:

25676-62-4

Catalog Number:

25676-62-4

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

Canonical 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.

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.

Computed Properties

XLogP3

2.5

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

228.01348520 g/mol

Monoisotopic Mass

228.01348520 g/mol

Topological Polar Surface Area

52.6Å²

Heavy Atom Count

Formal Charge

Complexity

59.5

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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