Carbonotrithioicaci...

Carbonotrithioicacid, methyl (methylsulfonyl)(methylthio)methyl ester 53271-69-5

Carbonotrithioicacid, methyl (methylsulfonyl)(methylthio)methyl ester 53271-69-5

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1 Gram

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  • Min.Order :1 Gram
  • Purity: 98%
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Carbonotrithioicacid, methyl (methylsulfonyl)(methylthio)methyl ester 53271-69-5 98%

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:10|Kilogram|Month
  • Storage:room temperature
  • Transportation:as requested

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Details:

Identification and Related Records
【Name】
Carbonotrithioicacid, methyl (methylsulfonyl)(methylthio)methyl ester
【Iupac name】
methylsulfanyl-[methylsulfanyl(methylsulfonyl)methyl]
sulfanylmethanethione
【CAS Registry number】
53271-69-5
【Synonyms】
Methyl[(methylsulfonyl)(methylthio)methyl] trithiocarbonate
NSC 277533
【Molecular Formula】
C5H10 O2 S5 (Products with the same molecular formula)
【Molecular Weight】
262.4567
【Inchi】
InChI=1/C5H10O2S5/c1-9-4(8)11-5(10-2)12(3,6)7/h5H,1-3H3
【Canonical SMILES】
CSC(SC(=S)SC)S(=O)(=O)C
Chemical and Physical Properties
【Density】
1.463g/cm3
【Boiling Point】
449.2°Cat760mmHg
【Refractive Index】
1.646
【Flash Point】
225.5°C
【Computed Properties】
Molecular Weight:262.4567 [g/mol]
Molecular Formula:C5H10O2S5
XLogP3-AA:2.5
H-Bond Donor:0
H-Bond Acceptor:6
Rotatable Bond Count:5
Exact Mass:261.928433
MonoIsotopic Mass:261.928433
Topological Polar Surface Area:151
Heavy Atom Count:12
Formal Charge:0
Complexity:239
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Hydrophobe Count:2
Effective Rotor Count:5
Conformer Sampling RMSD:0.6
CID Conformer Count:92

 

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