S-(2-Cyanoprop-2-yl)-S-dodecyltrithiocarbonate

Product Information

Molecular Formula:
C17H31NS3
Molecular Weight:
345.63
Description
Reversible Addition Fragmentation Chain Transfer (RAFT) Polymerization
Synonyms
2-Cyanopropan-2-yl Dodecyl Carbonotrithioate||||2-Cyano-2-propanyl Dodecyl Carbonotrithioate
IUPAC Name
2-dodecylsulfanylcarbothioylsulfanyl-2-methylpropanenitrile
Canonical SMILES
CCCCCCCCCCCCSC(=S)SC(C)(C)C#N
InChI
InChI=1S/C17H31NS3/c1-4-5-6-7-8-9-10-11-12-13-14-20-16(19)21-17(2,3)15-18/h4-14H2,1-3H3
InChI Key
QSVOWVXHKOQYIP-UHFFFAOYSA-N
Flash Point
>230 °F
Purity
min. 97%
Density
1.00
Appearance
Light yellow to Brown clear liquid
Storage
0-10°C
Refractive Index
n20/D 1.535

Safety Information

Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
H335:
May cause respiratory irritation.
Precautionary Statement
P101:
If medical advice is needed, have product container or label at hand.
P102:
Keep out of reach of children.
P103:
Read label before use.
P231:
Handle under inert gas.
P235:
Keep cool.
P262:
Do not get in eyes, on skin, or on clothing.
P305+P351+P338:
IF IN EYES:
Rinse cautiously with water for several minutes.
Remove contact lenses if present and easy to do. Continue rinsing.
P410:
Protect from sunlight.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.

Computed Properties

XLogP3
8.2
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
14
Exact Mass
345.16186351 g/mol
Monoisotopic Mass
345.16186351 g/mol
Topological Polar Surface Area
107Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
317
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
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WO-2022051303-A1 Refractive index contrast polymers and methods for producing and using the same 2020-09-01
JP-2022029117-A How to make star-shaped polymers, paints, paint films, and star-shaped polymers 2020-08-04
WO-2021261607-A1 Polyimide and preparation method thereof 2020-06-23
WO-2021256149-A1 Adhesive composition for organic fiber cord, rubber reinforcing material and method for producing same, and rubber article 2020-06-19
JP-2021195432-A Hot melt adhesive 2020-06-12
JP-2021193438-A Photosensitive coloring compositions, color filters and liquid crystal displays 2020-06-09
KR-20210150285-A Conductive polymer composition, substrate, and method of manufacturing substrate 2020-06-03
The molarity calculator equation

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

The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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