2-Cyano-2-propyl benzodithioate

Inquiry

Molecular Formula:

C11H11NS2

Molecular Weight:

221.34

CAS Number:

201611-85-0

Catalog Number:

201611-85-0

Product Information

Molecular Formula:

C11H11NS2

Molecular Weight:

221.34

Description

Reversible Addition Fragmentation Chain Transfer (RAFT) Polymerization

Synonyms

2-Cyanopropan-2-yl benzodithioate

IUPAC Name

2-cyanopropan-2-yl benzenecarbodithioate

Canonical SMILES

CC(C)(C#N)SC(=S)C1=CC=CC=C1

InChI

InChI=1S/C11H11NS2/c1-11(2,8-12)14-10(13)9-6-4-3-5-7-9/h3-7H,1-2H3

InChI Key

IDSLBLWCPSAZBL-UHFFFAOYSA-N

Flash Point

>230 °F

Purity

>97% (HPLC)

Appearance

solid or liquid

Storage

2-8°C

Refractive Index

n20/D 1.621

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.
P305+P351+P338:
IF IN EYES:
Rinse cautiously with water for several minutes.
Remove contact lenses if present and easy to do. Continue rinsing.
P403+P233:
Store in a well ventilated place.
Keep container tightly closed.
P410:
Protect from sunlight.
P422:
Store contents under...
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.

Computed Properties

XLogP3

3.3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

221.03329170 g/mol

Monoisotopic Mass

221.03329170 g/mol

Topological Polar Surface Area

81.2Å²

Heavy Atom Count

Formal Charge

Complexity

256

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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KR-20220013066-A	Modified oligomer, modified conjugated diene-based polymer comprising functional group derived from thereof and method for preparing the polymer	2020-07-24
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KR-20210157034-A	Composition for selective layer of reverse osmosis membrane, reverse osmosis membrane using the same and method for manufacturing the same	2020-06-19

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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