Monosultap

C5H12NNaO6S4CAS 29547-00-0333.38 g/mol

NSSO−OOSSOOOHNa+
Tertiary amine

Properties

Molecular formula
C5H12NNaO6S4
Molar mass
333.38 g/mol
Exact mass
332.9445 Da
logP
-0.39Crippen estimate
Polar surface area
112.0 Ų
H-bond donors / acceptors
2 / 7
Rotatable bonds
7

Identifiers

CAS number
29547-00-0
SMILES
CN(C)C(CSS([O-])(=O)=O)CSS(=O)(=O)O.[Na+]
InChIKey
QVIFNQQKZBJGBW-UHFFFAOYSA-N
InChI
InChI=1S/C5H13NO6S4.Na/c1-6(2)5(3-13-15(7,8)9)4-14-16(10,11)12;/h5H,3-4H2,1-2H3,(H,7,8,9)(H,10,11,12);

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Names and synonyms

8 names
  • Thiosulfuric acid (H2S2O3), SS,SS′-[2-(dimethylamino)-1,3-propanediyl] ester, sodium salt (1:1)
  • Thiosulfuric acid, S,S′-[2-(dimethylamino)trimethylene] ester, monosodium salt
  • Thiosulfuric acid (H2S2O3), S,S′-[2-(dimethylamino)-1,3-propanediyl] ester, monosodium salt
  • 1,3-Propanedithiol, 2-(dimethylamino)-, bis(hydrogen sulfate) (ester) monosodium salt
  • Sha chong dan
  • SCD
  • Monomehypo
  • Shachongdan

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Similar compounds

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

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