Cas no 870451-09-5 (3-((((1-Carboxyethyl)Thio)Carbonothioyl)Thio)Propanoic Acid)

3-((((1-Carboxyethyl)Thio)Carbonothioyl)Thio)Propanoic Acid structure
870451-09-5 structure
Product Name:3-((((1-Carboxyethyl)Thio)Carbonothioyl)Thio)Propanoic Acid
CAS No:870451-09-5
MF:C7H10O4S3
MW:254.346898555756
MDL:MFCD28126761
CID:3512474
PubChem ID:329769779
Update Time:2024-10-26

3-((((1-Carboxyethyl)Thio)Carbonothioyl)Thio)Propanoic Acid Chemical and Physical Properties

Names and Identifiers

    • Propanoic acid, 2-[[[(2-carboxyethyl)thio]thioxomethyl]thio]-
    • 2-(2-Carboxyethylsulfanylthiocarbonylsulfanyl)propionic acid
    • 2-{[(2-Carboxyethyl)sulfanylthiocarbonyl]sulfanyl}propanoic Acid
    • 3-((((1-Carboxyethyl)Thio)Carbonothioyl)Thio)Propanoic Acid
    • 2-[[[(2-Carboxyethyl)thio]thioxomethyl]thio]propanoic acid (ACI)
    • 2-[[(2-Carboxyethyl)sulfanylthiocarbonyl]-sulfanyl]propanoic acid
    • BM 1429
    • CBSTSP
    • 2-(2-carboxyethylsulfanylcarbothioylsulfanyl)propanoic acid
    • 870451-09-5
    • G90481
    • starbld0048450
    • MFCD28126761
    • SCHEMBL918555
    • CS-0133345
    • 2-(2-carboxy-ethylsulfanylthiocarbonyl-sulfanyl) propionic acid
    • 2-({[(2-CARBOXYETHYL)SULFANYL]METHANETHIOYL}SULFANYL)PROPANOIC ACID
    • MDL: MFCD28126761
    • Inchi: 1S/C7H10O4S3/c1-4(6(10)11)14-7(12)13-3-2-5(8)9/h4H,2-3H2,1H3,(H,8,9)(H,10,11)
    • InChI Key: IKWGMGMZWODWEO-UHFFFAOYSA-N
    • SMILES: O=C(CCSC(SC(C)C(O)=O)=S)O

Computed Properties

  • Exact Mass: 253.97412232g/mol
  • Monoisotopic Mass: 253.97412232g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 7
  • Complexity: 241
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.7
  • Topological Polar Surface Area: 157?2

Experimental Properties

  • Color/Form: Not available
  • Density: Not available
  • Melting Point: 120-125?°C
  • Boiling Point: Not available
  • Flash Point: Not available
  • Vapor Pressure: Not available

3-((((1-Carboxyethyl)Thio)Carbonothioyl)Thio)Propanoic Acid Security Information

3-((((1-Carboxyethyl)Thio)Carbonothioyl)Thio)Propanoic Acid Pricemore >>

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3-((((1-Carboxyethyl)Thio)Carbonothioyl)Thio)Propanoic Acid Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Acetone
Reference
Mechanistic Aspects of Sterically Stabilized Controlled Radical Inverse Miniemulsion Polymerization
Qi, Genggeng; et al, Macromolecules (Washington, 2009, 42(12), 3906-3916

Production Method 2

Reaction Conditions
1.1 pH 6, 60 °C; cooled
Reference
Synthesis of Well-Defined Statistical and Diblock Copolymers of Acrylamide and Acrylic Acid by Inverse Miniemulsion RAFT Polymerization
Ouyang, Liu; et al, Macromolecular Chemistry and Physics, 2010, 211(18), 1977-1983

Production Method 3

Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: Water ;  30 min, rt
1.2 rt; overnight, rt
1.3 rt; overnight, rt
1.4 Reagents: Hydrochloric acid Solvents: Water ;  acidified
Reference
Synthesis and Evaluation of New Dicarboxylic Acid Functional Trithiocarbonates: RAFT Synthesis of Telechelic Poly(n-butyl acrylate)s
Wang, Ran; et al, Macromolecules, 2005, 38(23), 9518-9525

Production Method 4

Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: Water ;  30 min, rt
1.2 16 h, rt
1.3 16 h, rt
1.4 Reagents: Hydrochloric acid Solvents: Water ;  pH 3.0
Reference
Dual pH-/thermo-responsive chitosan-based hydrogels prepared using "click" chemistry for colon-targeted drug delivery applications
Hoang, Huong Thi ; et al, Carbohydrate Polymers, 2021, 260,

Production Method 5

Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: Water ;  30 min, 4 °C
1.2 30 min, 4 °C
1.3 Reagents: Sodium hydroxide Solvents: Water ;  overnight, rt
1.4 acidified
Reference
Construction of enzyme-encapsulated fibermats from the cross-linkable copolymers poly(acrylamide)-co-poly(diacetone acrylamide) with the bi-functional cross-linker, adipic acid dihydrazide
Ido, Yuya; et al, Polymer, 2017, 132, 342-352

Production Method 6

Reaction Conditions
1.1 Solvents: Dichloromethane ;  48 h, 80 °C
Reference
Synthesis of dual-functional poly(6-azidohexylmethacrylate) brushes by a RAFT agent carrying carboxylic acid end groups
Cimen, Dilek; et al, Journal of Polymer Science, 2015, 53(14), 1696-1706

Production Method 7

Reaction Conditions
1.1 Reagents: Triethylamine Solvents: Diethyl ether ;  30 min, 0 °C
1.2 Solvents: Diethyl ether ;  2 h, 0 °C; overnight, 0 °C
2.1 Solvents: Dichloromethane ;  48 h, 80 °C
Reference
Synthesis of dual-functional poly(6-azidohexylmethacrylate) brushes by a RAFT agent carrying carboxylic acid end groups
Cimen, Dilek; et al, Journal of Polymer Science, 2015, 53(14), 1696-1706

3-((((1-Carboxyethyl)Thio)Carbonothioyl)Thio)Propanoic Acid Raw materials

3-((((1-Carboxyethyl)Thio)Carbonothioyl)Thio)Propanoic Acid Preparation Products

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