Cyanomethyl dodecyl trithiocarbonate

Inquiry

Molecular Formula:

C15H27NS3

Molecular Weight:

317.58

CAS Number:

796045-97-1

Catalog Number:

796045-97-1

Product Information

Molecular Formula:

C15H27NS3

Molecular Weight:

317.58

Description

Reversible Addition Fragmentation Chain Transfer (RAFT) Polymerization

Synonyms

S-Cyanomethyl-S-dodecyltrithiocarbonate

IUPAC Name

2-dodecylsulfanylcarbothioylsulfanylacetonitrile

Canonical SMILES

CCCCCCCCCCCCSC(=S)SCC#N

InChI

InChI=1S/C15H27NS3/c1-2-3-4-5-6-7-8-9-10-11-13-18-15(17)19-14-12-16/h2-11,13-14H2,1H3

InChI Key

URUIKGRSOJEVQG-UHFFFAOYSA-N

Melting Point

30-33°C

Flash Point

>230 °F

Purity

min. 97%

Appearance

yellow-orange solid

Storage

2-8°C

Refractive Index

n20/D 1.526

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

7.6

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

317.13056339 g/mol

Monoisotopic Mass

317.13056339 g/mol

Topological Polar Surface Area

107Å²

Heavy Atom Count

Formal Charge

Complexity

257

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

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WO-2021256149-A1	Adhesive composition for organic fiber cord, rubber reinforcing material and method for producing same, and rubber article	2020-06-19
CN-112675301-A	Mesoporous silicon nano particle for resisting cancer and symbiotic flora and preparation method and application thereof	2020-06-12
CN-112675301-B	Mesoporous silicon nano particle for resisting cancer and symbiotic flora and preparation method and application thereof	2020-06-12
KR-102353368-B1	Lignin and vegetable oil based thermoplastic elastomers and the method of manufacturing the same, molded article made of lignin and vegetable oil based thermoplastic elastomers	2020-04-09
KR-20210125796-A	Lignin and vegetable oil based thermoplastic elastomers and the method of manufacturing the same, molded article made of lignin and vegetable oil based thermoplastic elastomers	2020-04-09
WO-2021193560-A1	Chloroprene block copolymer, latex, latex composition, and rubber composition	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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