Carbonotrithioic acid,bis(phenylmethyl) ester

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Product Information

Molecular Formula:
C15H14 S3
Molecular Weight:
290.47
Description
Trithiocarbonate-based RAFT agent used as a bifunctional Chain Transfer Agent (CTA) in RAFT polymerization of block copolymers for drug delivery. Provides good control of polymerization of vinyl monomers, including styrene, methacrylate, and acrylamide.
Synonyms
dibenzyl esterCarbonotrithioic acid bis(phenylmethyl) ester/DBTTC/Dibenzyl carbonotrithioate,
IUPAC Name
bis(benzylsulfanyl)methanethione
Canonical SMILES
C1=CC=C(C=C1)CSC(=S)SCC2=CC=CC=C2
InChI
InChI=1S/C15H14S3/c16-15(17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChI Key
LAKYXBYUROTWBI-UHFFFAOYSA-N
Flash Point
>230 °F
Purity
min. 97%
Appearance
dark yellow liq.
Storage
2-8°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.
P222:
Do not allow contact with air.
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.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.

Computed Properties

XLogP3
5.2
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
6
Exact Mass
290.02576397 g/mol
Monoisotopic Mass
290.02576397 g/mol
Topological Polar Surface Area
82.7Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
216
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-113871705-A Self-repairing polyion liquid-based electrolyte and preparation and application thereof 2021-09-27
CN-113831455-A Core-shell particles for toughening epoxy resin and preparation method thereof 2021-08-19
CN-113831484-A VP block copolymer and preparation method and application thereof 2021-08-16
CN-113402721-A Mixed crystal phase TiO2Grafted polymethyl methacrylate denture base resin and preparation method thereof 2021-05-24
CN-113087929-A Hydrogen bond supermolecule polymer nano-particle and preparation method thereof 2021-03-08
CN-113087929-B Hydrogen bond supermolecule polymer nano-particle and preparation method thereof 2021-03-08
CN-112279981-A Polymer binder containing soft phase region and hard phase region and preparation method and application thereof 2020-10-20
JP-6834050-B1 Pigment dispersant composition and its manufacturing method, pigment dispersion liquid, and active energy ray-curable inkjet ink 2020-09-03
JP-2022042817-A Pigment dispersant composition and its manufacturing method, pigment dispersion liquid, and active energy ray-curable inkjet ink. 2020-09-03
WO-2022050017-A1 Pigment dispersant composition, production method therefor, pigment dispersion, and actinic-ray-curable ink-jet ink 2020-09-03

Literatures

PMID Publication Date Title Journal
20345117 2010-06-01 Controlled synthesis of polymeric nanocapsules by RAFT-based vesicle templating Langmuir : the ACS journal of surfaces and colloids
19534456 2009-09-15 Polymer encapsulated gibbsite nanoparticles: efficient preparation of anisotropic composite latex particles by RAFT-based starved feed emulsion polymerization Langmuir : the ACS journal of surfaces and colloids
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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