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| CAS No.: | 6326-83-6 |
|---|---|
| Name: | BIS(CARBOXYMETHYL) TRITHIOCARBONATE |
| Article Data: | 14 |
| Molecular Structure: | |
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| Formula: | C5H6O4S3 |
| Molecular Weight: | 226.298 |
| 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; |
| EINECS: | 228-693-7 |
| Density: | 1.698 g/cm3 |
| Melting Point: | 172-175 °C(lit.) |
| Boiling Point: | 532.5 °C at 760 mmHg |
| Flash Point: | 275.9 °C |
| Appearance: | yellow fine powder |
| Risk Codes: | 36/37/38 |
| Safety: | 24/25 |
| PSA: | 157.29000 |
| LogP: | 0.90690 |
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- Total:38 Page 1 of 1 1
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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.
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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