3,3'-(ethane-1,2-di...

3,3'-(ethane-1,2-diyldisulfanediyl)bis(2,2-dimethylpropanoic acid)(CAS No. 55565-69-0)

3,3'-(ethane-1,2-diyldisulfanediyl)bis(2,2-dimethylpropanoic acid)(CAS No. 55565-69-0)

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Keywords

3-[2-(2-carboxy-2-methyl-propyl)sulfanylethylsulfanyl]-2,2-dimethyl-propanoic acid 55565-69-0 98%

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  • Appearance:Solid
  • Application:Organic Chemicals
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  • ProductionCapacity:100|Kilogram|Month
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Details:

【Name】
3,3'-(ethane-1,2-diyldisulfanediyl)bis(2,2-dimethylpropanoic acid)
【Iupac name】
3-[2-(2-carboxy-2-methylpropyl)sulfanylethylsulfanyl]-2,
2-dimethylpropanoic acid
【CAS Registry number】
55565-69-0
【Synonyms】
NSC215742
AC1L7HZN
NSC-215742
3-[2-(3-hydroxy-2,2-dimethyl-3-oxopropyl)sulfanylethylsulfanyl]-2,2-dimethylpropanoic acid
55565-69-0
【Molecular Formula】
C12H22O4S2 (Products with the same molecular formula)
【Molecular Weight】
294.4307
【Inchi】
InChI=1/C12H22O4S2/c1-11(2,9(13)14)7-17-5-6-18-8-12(3,4)10(15)16/h5-8H2,1-4H3,(H,13,14)(H,15,16)
【Canonical SMILES】
CC(C)(CSCCSCC(C)(C)C(=O)O)C(=O)O
Chemical and Physical Properties
【Density】
1.207g/cm3
【Boiling Point】
484.8°C at 760 mmHg
【Refractive Index】
1.541
【Flash Point】
247°C
【Computed Properties】
Molecular Weight:294.43068 [g/mol]
Molecular Formula:C12H22O4S2
XLogP3-AA:2.4
H-Bond Donor:2
H-Bond Acceptor:6
Rotatable Bond Count:9
Exact Mass:294.095951
MonoIsotopic Mass:294.095951
Topological Polar Surface Area:125
Heavy Atom Count:18
Formal Charge:0
Complexity:271
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
Feature 3D Acceptor Count:4
Feature 3D Anion Count:2
Feature 3D Hydrophobe Count:2
Effective Rotor Count:9
Conformer Sampling RMSD:0.8
CID Conformer Count:93

 

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