Cyanomethyl methyl(phenyl)carbamodithioate

Inquiry

Molecular Formula:

C10H10N2S2

Molecular Weight:

222.33

CAS Number:

76926-16-4

Catalog Number:

76926-16-4

Product Information

Molecular Formula:

C10H10N2S2

Molecular Weight:

222.33

Description

Reversible Addition Fragmentation Chain Transfer (RAFT) Polymerization

Synonyms

Cyanomethyl N-methyl-N-phenyl dithiocarbamate

IUPAC Name

cyanomethyl N-methyl-N-phenylcarbamodithioate

Canonical SMILES

CN(C1=CC=CC=C1)C(=S)SCC#N

InChI

InChI=1S/C10H10N2S2/c1-12(10(13)14-8-7-11)9-5-3-2-4-6-9/h2-6H,8H2,1H3

InChI Key

FYACMHCOSCVNHO-UHFFFAOYSA-N

Melting Point

88-92°C

Flash Point

>230 °F

Purity

95%

Appearance

pale yellow crystal

Storage

2-8°C

Refractive Index

n20/D 1.678

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
H335:
May cause respiratory irritation.

Precautionary Statement

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

2.6

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

222.02854067 g/mol

Monoisotopic Mass

222.02854067 g/mol

Topological Polar Surface Area

84.4Å²

Heavy Atom Count

Formal Charge

Complexity

238

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-113996276-A	Solid phase extraction material and preparation method and application thereof	2021-11-15
JP-2022021340-A	A resin composition for forming an odor substance receiving layer, a sensor element using the resin composition, an odor sensor, and an odor measuring device.	2020-07-21
JP-2022015394-A	Inorganic filler dispersant, inorganic filler masterbatch, resin composition, its manufacturing method and molded product	2020-07-09
WO-2021256149-A1	Adhesive composition for organic fiber cord, rubber reinforcing material and method for producing same, and rubber article	2020-06-19
JP-2021193438-A	Photosensitive coloring compositions, color filters and liquid crystal displays	2020-06-09
CN-111303326-A	Polyolefin material with controllable degradation units and high monomer utilization rate and preparation method thereof	2020-04-09
CN-111303326-B	Polyolefin material with controllable degradation units and high monomer utilization rate and preparation method thereof	2020-04-09
JP-2021031672-A	UV-absorbing polymers, molding compositions, and moldings	2020-03-31
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

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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