2-Cyano-2-propyl 4-cyanobenzodithioate

Product Information

Molecular Formula:
C12H10N2S2
Molecular Weight:
246.35
Description
RAFT agent for controlled radical polymerization; especially suited for the polymerization of methyl methacrylate and styrene monomers. Chain Transfer Agent (CTA)
Synonyms
2-Cyanoprop-2-yl 4-cyanodithiobenzoate, 4-Cyanobenzenecarbodithioic acid 1-cyano-1-methylethyl ester
IUPAC Name
2-cyanopropan-2-yl 4-cyanobenzenecarbodithioate
Canonical SMILES
CC(C)(C#N)SC(=S)C1=CC=C(C=C1)C#N
InChI
InChI=1S/C12H10N2S2/c1-12(2,8-14)16-11(15)10-5-3-9(7-13)4-6-10/h3-6H,1-2H3
InChI Key
GLQSCQVGVPUIPC-UHFFFAOYSA-N
Flash Point
>230 °F
Purity
98% (HPLC)
Appearance
solid or liquid
Storage
2-8°C
Refractive Index
n20/D 1.621

Computed Properties

XLogP3
3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
246.02854067 g/mol
Monoisotopic Mass
246.02854067 g/mol
Topological Polar Surface Area
105Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
361
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
WO-2021188638-A1 Compositions and methods for particle three-dimensional printing 2020-03-18
US-2021198474-A1 Block copolymer, preparation method thereof, and thin film structure comprising the same 2019-12-31
TW-202126713-A Block copolymer, preparation method thereof, and thin film structure comprising the same 2019-12-31
TW-I742500-B Block copolymer, preparation method thereof, and thin film structure comprising the same 2019-12-31
CN-110964593-A Polymerization-induced self-assembly oleogel and preparation method and application thereof 2019-12-18
CN-110964593-B Polymerization-induced self-assembly oleogel and preparation method and application thereof 2019-12-18
WO-2021097320-A1 Compositions and methods for three-dimensional printing 2019-11-15
DE-102019126683-A1 Copolymers for improving the storage stability of enzymes in detergents and cleaning agents 2019-10-02
WO-2021063762-A1 Copolymers for improving the stability of enzymes in washing and cleaning agents 2019-10-02
US-2020378067-A1 Methods of making a deflection member 2019-05-31
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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