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4-Cyano-4-(dodecylsulfanylthiocarbonyl)sulfanylpentanoic acid

4-Cyano-4-(dodecylsulfanylthiocarbonyl)sulfanylpentanoic acid

Name: 4-Cyano-4-(dodecylsulfanylthiocarbonyl)sulfanylpentanoic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Inquiry

Molecular Formula:

C19H33NO2S3

Molecular Weight:

403.67

CAS Number:

870196-80-8

Catalog Number:

870196-80-8

Product Information

Molecular Formula:

C19H33NO2S3

Molecular Weight:

403.67

Description

Reversible Addition Fragmentation Chain Transfer (RAFT) Polymerization.

Synonyms

4-Cyano-4-(((dodecylthio)carbonothioyl)thio)pentanoic acid; 4-Cyano-4-[(dodecylsulfanylthiocarbonyl)sulfanyl]pentanoic acid; Pentanoic acid, 4-cyano-4-[[(dodecylthio)thioxomethyl]thio]-

IUPAC Name

4-cyano-4-dodecylsulfanylcarbothioylsulfanylpentanoic acid

Canonical SMILES

CCCCCCCCCCCCSC(=S)SC(C)(CCC(=O)O)C#N

InChI

InChI=1S/C19H33NO2S3/c1-3-4-5-6-7-8-9-10-11-12-15-24-18(23)25-19(2,16-20)14-13-17(21)22/h3-15H2,1-2H3,(H,21,22)

InChI Key

RNTXYZIABJIFKQ-UHFFFAOYSA-N

Melting Point

61.0 to 65.0 °C

Purity

Min. 97 %

Appearance

White to light yellow to light orange powder to crystal

Storage

−20 °C

Refractive Index

n20/D 1.526

Safety Information

Hazards

H302+H312+H332:
Harmful if swallowed.
Harmful in contact with skin.
Harmful if inhaled.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P261:
Avoid breathing dust, fumes, gas, mist, vapours, spray. [As modified by IV ATP].
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352+P312:
IF ON SKIN:
Wash with plenty of soap and water.
Call a POISON CENTER or doctor/physician if you feel unwell.
P304+P340+P312:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
Call a POISON CENTER or doctor/physician if you feel unwell.
P337+P313:
If eye irritation persists:
Get medical advice/attention.

Signal Word

Warning

Computed Properties

XLogP3

7.6

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

403.16734282 g/mol

Monoisotopic Mass

403.16734282 g/mol

Topological Polar Surface Area

144Å²

Heavy Atom Count

Formal Charge

Complexity

434

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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CN-112979856-A	Random copolymer and preparation method thereof, modified PBO fiber and preparation method thereof, resin-based wave-transmitting composite material and preparation method thereof	2021-02-26

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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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