chempirical

Thiocyclam hydrogen oxalate

C7H13NO4S3CAS 31895-22-4271.36 g/mol

Open in Covalent MOL file
NSSSOHOOOH
Carboxylic acidDisulfideTertiary amine

Properties

Molecular formula
C7H13NO4S3
Molar mass
271.36 g/mol
Exact mass
271.0007 Da
logP
1.12Crippen estimate
Polar surface area
77.8 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
1

Identifiers

CAS number
31895-22-4
SMILES
CN(C)C1CSSSC1.O=C(O)C(=O)O
InChIKey
ICTQUFQQEYSGGJ-UHFFFAOYSA-N
InChI
InChI=1S/C5H11NS3.C2H2O4/c1-6(2)5-3-7-9-8-4-5;3-1(4)2(5)6/h5H,3-4H2,1-2H3;(H,3,4)(H,5,6)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • 1,2,3-Trithian-5-amine, N,N-dimethyl-, ethanedioate (1:1)
  • SAN 155
  • Evisect
  • SAN 155I
  • VEL 3883
  • Evisect S
  • Nerisect
  • Evisekt
  • Cyclate
  • Thiocyclam oxalate
  • Stamina 50
  • MIC Evisect

Work with Thiocyclam hydrogen oxalate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Cartap15263-53-343 % similar Cartap hydrochloride15263-52-239 % similar Ethanedioic acid hydrate (1:2)6153-56-636 % similar Bisultap52207-48-433 % similar Ammonium oxalate monohydrate6009-70-732 % similar Ammonium oxalate1113-38-831 % similar Alpha-ketoisocaproic acid816-66-031 % similar Monosultap29547-00-030 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook