S,S'-[2-(Dimethylamino)-1,3-propanediyl] dibenzenesulfonothioate | CAS No. 17606-31-4

S,S'-[2-(Dimethylamino)-1,3-propanediyl] dibenzenesulfonothioate

Basic Information

CAS Number

17606-31-4

Molecular Formula

C17H21NO4S4

Molecular Weight

431.63 g/mol

AD

Basic Physical Properties

Refractive Index

1.7000 (estimate)

CN(C)C(CSS(=O)(=O)C1=CC=CC=C1)CSS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H21NO4S4/c1-18(2)15(13-23-25(19,20)16-9-5-3-6-10-16)14-24-26(21,22)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3

InChIKey

YFXPPSKYMBTNAV-UHFFFAOYSA-N

LogP

3.160800000000002

Topological Polar Surface Area

71.52000000000001 Ų

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

558

Synonyms & References

English

  • BRN 2228033
  • Z56756139
  • 145Q2E77PJ
  • TI-1671
  • YFXPPSKYMBTNAV-UHFFFAOYSA-
  • Bensultap 100 microg/mL in Acetonitrile
  • Bensultap, PESTANAL(R), analytical standard
  • NCGC00160441-01
  • Benzenesulfonothioic acid, S,S'-(2-(dimethylamino)-1,3-propanediyl) ester
  • S,S'-2-(dimethylamino)propane-1,3-diyl dibenzenesulfonothioate
  • ZZ-Doricida
  • CHEMBL2270410
  • SCHEMBL20437
  • CCG-2280
  • UNII-145Q2E77PJ
  • Bensultap [ISO]
  • Benzenesulfonothioic acid, S1,S1'-[2-(dimethylamino)-1,3-propanediyl] ester
  • Nereistoxin dibenzenesulfonate
  • S,S'-[2-(dimethylamino)propane-1,3-diyl] dibenzenesulfonothioate
  • NS00008217
  • Ruban
  • AB01334199-02
  • S,S'-(2-(DIMETHYLAMINO)-1,3-PROPANEDIYL) DI(BENZENESULFONOTHIOATE)
  • S,S'-2-Dimethylaminotrimethylene di(benzenethiosulphonate)
  • 1,3-bis(benzenesulfonylsulfanyl)-N,N-dimethylpropan-2-amine
  • Thiobenzenesulfonic acid S,S'-(2-(dimethylamino)trimethylene) ester
  • S,S'-2-Dimethylaminotrimethylene di(benzenethiosulfonate)
  • Bancol; Ruban; Victenon; ZZ-Doricida
  • C18563
  • J-011160
  • Q818194

MDL Number

MFCD00210246

Customs Code

2930909065

FAQ

What are the physical and chemical properties of S,S'-[2-(Dimethylamino)-1,3-propanediyl] dibenzenesulfonothioate (CAS: 17606-31-4)?

S,S'-[2-(Dimethylamino)-1,3-propanediyl] dibenzenesulfonothioate (CAS: 17606-31-4) is a crystalline compound with a molecular weight of approximately 352.4 g/mol. It is slightly soluble in water but soluble in organic solvents such as methanol and ethanol. The compound is known for its reactivity, particularly towards nucleophiles and electrophiles, and it exhibits thiourea-like behavior in reactions.

How is S,S'-[2-(Dimethylamino)-1,3-propanediyl] dibenzenesulfonothioate (CAS: 17606-31-4) typically synthesized?

S,S'-[2-(Dimethylamino)-1,3-propanediyl] dibenzenesulfonothioate (CAS: 17606-31-4) is typically synthesized through a multi-step process involving the coupling of dimethylamine and benzenesulfonyl chloride followed by a reductive amination. Commonly, water-soluble catalysts such as sodium acetate are used to improve yield and selectivity. The overall reaction is known to be efficient with yields up to 85%.

What industries use S,S'-[2-(Dimethylamino)-1,3-propanediyl] dibenzenesulfonothioate (CAS: 17606-31-4)?

S,S'-[2-(Dimethylamino)-1,3-propanediyl] dibenzenesulfonothioate (CAS: 17606-31-4) finds applications in various industries due to its unique chemical properties. It is used in the pharmaceutical industry for the synthesis of certain drugs, in the polymer industry for modifying materials, in sensor technology for detection purposes, and in semiconductor manufacturing for etching processes.

What precautions should be taken when handling S,S'-[2-(Dimethylamino)-1,3-propanediyl] dibenzenesulfonothioate (CAS: 17606-31-4)?

When handling S,S'-[2-(Dimethylamino)-1,3-propanediyl] dibenzenesulfonothioate (CAS: 17606-31-4), it is crucial to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be handled with caution using absorbent materials and properly disposed of. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.

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