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Acetic acid,2,2'-[carbonothioylbis(thio)]bis-

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Name

Acetic acid,2,2'-[carbonothioylbis(thio)]bis-

EINECS 228-693-7
CAS No. 6326-83-6 Density 1.698 g/cm3
PSA 157.29000 LogP 0.90690
Solubility N/A Melting Point 172-175 °C(lit.)
Formula C5H6O4S3 Boiling Point 532.5 °C at 760 mmHg
Molecular Weight 226.298 Flash Point 275.9 °C
Transport Information N/A Appearance yellow fine powder
Safety 24/25 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 6326-83-6 (BIS(CARBOXYMETHYL) TRITHIOCARBONATE) Hazard Symbols N/A
Synonyms

Carbonicacid, trithio-, bis(carboxymethyl) ester (6CI);Carbonic acid, trithio-,diester with mercaptoacetic acid (8CI);Bis(carboxymethyl) trithiocarbonate;Di(carboxymethyl) trithiocarbonate;NSC 30797;Thiocarbonyldithioglycolic acid;Trithiocarbodiglycolic acid;

Article Data 14

Acetic acid,2,2'-[carbonothioylbis(thio)]bis- Specification

The Acetic acid,2,2'-[carbonothioylbis(thio)]bis-, with the CAS registry number 6326-83-6, is also known as Bis(carboxymethyl) trithiocarbonate. It belongs to the product categories of Carboxylic Acid Monomers; Monomers; Polymer Science. Its EINECS registry number is 228-693-7. This chemical's molecular formula is C5H6O4S3 and molecular weight is 226.29. Its IUPAC name is called 2-(carboxymethylsulfanylcarbothioylsulfanyl)acetic acid. This chemical is yellow fine powder. When you are using this chemical, please be cautious about it. This chemical is irritating to eyes, respiratory system and skin. You should avoid contacting it with skin and eyes.

Physical properties of Acetic acid,2,2'-[carbonothioylbis(thio)]bis-: (1)ACD/LogP: 1.39; (2)ACD/LogD (pH 5.5): -3.23; (3)ACD/LogD (pH 7.4): -3.36; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Index of Refraction: 1.702; (12)Molar Refractivity: 51.62 cm3; (13)Molar Volume: 133.2 cm3; (14)Surface Tension: 101.1 dyne/cm; (15)Density: 1.698 g/cm3; (16)Flash Point: 275.9 °C; (17)Enthalpy of Vaporization: 88.42 kJ/mol; (18)Boiling Point: 532.5 °C at 760 mmHg; (19)Vapour Pressure: 9.26E-13 mmHg at 25°C.

Uses of Acetic acid,2,2'-[carbonothioylbis(thio)]bis-: it can be used to produce [1,2,4,5]tetrazinane-3,6-dithione. This reaction will need reagent aq. NaOH solution.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(C(=O)O)SC(=S)SCC(=O)O
(2)InChI: InChI=1S/C5H6O4S3/c6-3(7)1-11-5(10)12-2-4(8)9/h1-2H2,(H,6,7)(H,8,9)
(3)InChIKey: GQECANUIPBFPLA-UHFFFAOYSA-N

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