Benzyl 1H-pyrrole-1-carbodithioate

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Product Information

Molecular Formula:
C12H11NS2
Molecular Weight:
233.35
Description
RAFT agent for controlled radical polymerization; Chain Transfer Agent (CTA)
Synonyms
1H-Pyrrole-1-carbodithioic acid phenylmethyl ester
IUPAC Name
benzyl pyrrole-1-carbodithioate
Canonical SMILES
C1=CC=C(C=C1)CSC(=S)N2C=CC=C2
InChI
InChI=1S/C12H11NS2/c14-12(13-8-4-5-9-13)15-10-11-6-2-1-3-7-11/h1-9H,10H2
InChI Key
AGCPVOYGTAIJAP-UHFFFAOYSA-N
Flash Point
>230 °F
Purity
97% (HPLC)
Appearance
liquid
Storage
2-8°C
Refractive Index
n20/D 1.678

Computed Properties

XLogP3
3.6
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
233.03329170 g/mol
Monoisotopic Mass
233.03329170 g/mol
Topological Polar Surface Area
62.3Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
206
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-2021193560-A1 Chloroprene block copolymer, latex, latex composition, and rubber composition 2020-03-26
WO-2021193561-A1 Chloroprene-based block copolymer latex 2020-03-26
WO-2021193562-A1 Dip-molded article 2020-03-26
WO-2021193563-A1 Chloroprene-based block copolymer, latex, latex composition, and rubber composition 2020-03-26
WO-2021039396-A1 Rubber composition, vulcanized product, and vulcanized molded article 2019-08-23
EP-3954732-A1 Rubber composition, vulcanized product, and vulcanized molded article 2019-08-23
WO-2021006100-A1 Rubber composition, method for producing same, unvulcanized molded article, vulcanized product, and vulcanized molded article 2019-07-09
WO-2020226178-A1 Fluoropolymer production method and fluoropolymer 2019-05-08
WO-2020189456-A1 Rubber latex and water-based adhesive composition 2019-03-15
EP-3940002-A1 Rubber latex and water-based adhesive composition 2019-03-15
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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