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Propyl propanethiosulfinate

Propyl propanethiosulfinate structure

Propyl propanethiosulfinate 

structure
  • CAS No:

    1948-52-3

  • Formula:

    C6H14OS2

  • Chemical Name:

    Propyl propanethiosulfinate

  • Synonyms:

    1-Propanesulfinothioic acid,S-propyl ester;1-Propanesulfinic acid,thio-,S-propyl ester;1-Propyl propanethiosulfinate;Propyl propanethiosulfinate;NSC 23131;Proallium S DMC;1-Propylsulfinylsulfanylpropane;1-[(Propane-1-sulfinyl)sulfanyl]propane;85085-09-2

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

S-propyl propanethiosulfinate is a sulfinic acid derivative obtained by formal condensation of propanethiosulfinic acid with propanethiol. It has a role as a plant metabolite, a rat metabolite, an antioxidant and an antibacterial agent. It is a sulfoxide and a sulfinic acid derivative.

Propyl propanethiosulfinate Basic Attributes

166.3 g/mol

166.30

217-755-9

23131

Characteristics

61.6 Ų

1.041 g/cm3 @ Temp: 20 °C

25-35 °C @ Press: 0.01 Torr

20 mg/mL

Propyl propanethiosulfinate Use and Manufacturing

1-Propanesulfinothioic acid, S-propyl ester: INACTIVE

Computed Properties

Molecular Weight:166.3
XLogP3:1.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:166.04860741
Monoisotopic Mass:166.04860741
Topological Polar Surface Area:61.6
Heavy Atom Count:9
Complexity:83.1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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