2-[[(Dodecylthio)carbonothioyl]thio]-2-methylpropionic Acid

Product Information

Molecular Formula:
C17H32O2S3
Molecular Weight:
364.63
Description
Reversible addition fragmentation chain transfer (RAFT) polymerization.
Synonyms
2-[[(dodecylthio)-sulfanylidenemethyl]thio]-2-methylpropanoic acid; 2-dodecylsulfanylcarbothioylsulfanyl-2-methylpropanoic acid
IUPAC Name
2-dodecylsulfanylcarbothioylsulfanyl-2-methylpropanoic acid
Canonical SMILES
CCCCCCCCCCCCSC(=S)SC(C)(C)C(=O)O
InChI
InChI=1S/C17H32O2S3/c1-4-5-6-7-8-9-10-11-12-13-14-21-16(20)22-17(2,3)15(18)19/h4-14H2,1-3H3,(H,18,19)
InChI Key
DZFGVGDQHQHOKZ-UHFFFAOYSA-N
Boiling Point
505.984 °C at 760 mmHg
Melting Point
58-63 °C
Flash Point
>230 °F
Purity
> 98.0 % (T)
Density
1.083 g/cm3
Appearance
White to almost white powder to crystal
Storage
0-10 °C
Refractive Index
n20/D 1.535
LogP
6.52180

Safety Information

Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

XLogP3
8
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
15
Exact Mass
364.15644378 g/mol
Monoisotopic Mass
364.15644378 g/mol
Topological Polar Surface Area
120Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
317
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
CN-114085317-A Reactive UCST copolymer and preparation method thereof 2021-12-22
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CN-113480704-A Acrylate multi-block copolymer and preparation method and application thereof 2021-08-05
CN-113754844-A Degradable high-molecular nano material with various shapes and preparation method thereof 2021-08-02
CN-113471531-A Polymer solid electrolyte, preparation method thereof and solid battery 2021-07-28
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CN-113304611-A Composite nanofiltration membrane with controllable structure and preparation method thereof 2021-06-04
CN-113278143-A Efficient unsaturated carbon dioxide-based polyol and preparation method thereof 2021-05-27
CN-113234184-A Methylene blue photosensitizer and application thereof in photo-Fenton-initiated RAFT reaction 2021-05-18

Literatures

PMID Publication Date Title Journal
21123899 2010-12-01 2-{[(Dodecylsulfanyl)carbonothioyl]sulfanyl}-2-methylpropanoic acid: a chain of edge-fused R(2)(2)(8) and R(4)(4)(20) rings built from O-H...O and C-H...O hydrogen bonds Acta crystallographica. Section C, Crystal structure communications
19441319 2009-01-01 Controllable nanostructured surface modification on quantum dot for biomedical application in aqueous medium Journal of nanoscience and nanotechnology
15244427 2004-07-01 Facile, controlled, room-temperature RAFT polymerization of N-isopropylacrylamide Biomacromolecules
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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