Bis(carboxymethyl) trithiocarbonate

Product Information

Molecular Formula:
C5H6O4S3
Molecular Weight:
226.29
Description
Applications: Bis(carboxymethyl)trithiocarbonate is a useful research chemical.
Synonyms
BIS(CARBOXYMETHYL) TRITHIOCARBONATE; (([(CARBOXYMETHYL)SULFANYL]CARBOTHIOYL)SULFANYL)ACETIC ACID; AKOS BBS-00000843; TIMTEC-BB SBB000667; TRITHIOCARBONIC ACID BIS(CARBOXYMETHYL) ESTER; 3,5-dithia-4-thioxo-1,7-heptanedioic acid; (Thiocarbonyl)bisthiodiacetic ac
IUPAC Name
2-(carboxymethylsulfanylcarbothioylsulfanyl)acetic acid
Canonical SMILES
C(C(=O)O)SC(=S)SCC(=O)O
InChI
InChI=1S/C5H6O4S3/c6-3(7)1-11-5(10)12-2-4(8)9/h1-2H2,(H,6,7)(H,8,9)
InChI Key
GQECANUIPBFPLA-UHFFFAOYSA-N
Boiling Point
337.91°C (rough estimate)
Melting Point
172-175 °C(lit.)
Purity
0.98
Density
1.513 (estimate)
Appearance
Yellow Solid
Storage
-20°C Freezer, Under inert atmosphere
Refractive Index
1.4360 (estimate)

Computed Properties

XLogP3
1.4
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
6
Exact Mass
225.94282219 g/mol
Monoisotopic Mass
225.94282219 g/mol
Topological Polar Surface Area
157Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
183
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-113621095-A Degradable polymer initiator and preparation method thereof 2021-08-30
CN-114058021-A pH-sensitive triblock polymer, reduction-sensitive cross-linked polymer vesicle and preparation and application thereof 2021-07-21
CN-113234175-A Ionic liquid modified cellulose-based antibacterial material and preparation method and application thereof 2021-05-27
CN-113151225-A Polymer modified beta-glucosidase, preparation thereof and application thereof in lignocellulose enzymolysis 2021-04-09
CN-111995622-A Compound and use thereof 2020-08-20
CN-111747944-A Broad-spectrum anti-enveloped virus compound, composition and application thereof 2020-07-13
CN-111635536-A Graphene oxide loaded renewable antibacterial polypropylene material and preparation method thereof 2020-06-17
KR-102186921-B1 Terpolymer, process of synthesizing thepolymer, anti-reflection filim including the terpolymer and application thereof 2019-12-18
KR-102302997-B1 Organic compound and method of synthesizing thereof 2019-12-18
KR-20210078072-A Organic compound and method of synthesizing thereof 2019-12-18
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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