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C17H21NO4S4CAS 17606-31-4431.60 g/mol

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Tertiary amine

Properties

Molecular formula
C17H21NO4S4
Molar mass
431.60 g/mol
Exact mass
431.0353 Da
Melting point
83.5 °C
logP
3.16Crippen estimate
Polar surface area
71.5 Ų
H-bond donors / acceptors
0 / 7
Rotatable bonds
9

Identifiers

CAS number
17606-31-4
SMILES
CN(C)C(CSS(=O)(=O)c1ccccc1)CSS(=O)(=O)c1ccccc1
InChIKey
YFXPPSKYMBTNAV-UHFFFAOYSA-N
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

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Names and synonyms

10 names
  • Benzenesulfonothioic acid, S1,S1′-[2-(dimethylamino)-1,3-propanediyl] ester
  • Benzenesulfonic acid, thio-, S,S′-[2-(dimethylamino)trimethylene] ester
  • Benzenesulfonothioic acid, S,S′-[2-(dimethylamino)-1,3-propanediyl] ester
  • 1,3-Bis(phenylsulfonylthio)-2-(N,N-dimethylamino)propane
  • TI 78
  • TI 1671
  • Bancol
  • Ruban
  • Victenon
  • ZZ-Doricida

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Similar compounds

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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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