chempirical

Cartap

C7H15N3O2S2CAS 15263-53-3237.34 g/mol

Open in Covalent MOL file
NSNH2OSNH2O
SulfideTertiary amine

Properties

Molecular formula
C7H15N3O2S2
Molar mass
237.34 g/mol
Exact mass
237.0606 Da
Melting point
131 °C (decomposes)
logP
1.37Crippen estimate
Polar surface area
91.4 Ų
H-bond donors / acceptors
4 / 5
Rotatable bonds
5

Identifiers

CAS number
15263-53-3
SMILES
CN(C)C(CSC(=N)O)CSC(=N)O
InChIKey
IRUJZVNXZWPBMU-UHFFFAOYSA-N
InChI
InChI=1S/C7H15N3O2S2/c1-10(2)5(3-13-6(8)11)4-14-7(9)12/h5H,3-4H2,1-2H3,(H2,8,11)(H2,9,12)

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Names and synonyms

8 names
  • Carbamothioic acid, SC,SC′-[2-(dimethylamino)-1,3-propanediyl] ester
  • Carbamic acid, thio-, S,S′-[2-(dimethylamino)trimethylene] ester
  • Carbamothioic acid, S,S′-[2-(dimethylamino)-1,3-propanediyl] ester
  • 1,3-Propanedithiol, 2-(dimethylamino)-, dicarbamate (ester)
  • 1,3-Bis(carbamoylthio)-2-(dimethylamino)propane
  • Sanvex
  • Thiobel
  • Cartrap

Work with Cartap

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

Cartap hydrochloride15263-52-289 % similar Thiocyclam hydrogen oxalate31895-22-443 % similar Bisultap52207-48-431 % similar N,N-Dimethylcyclohexylamine98-94-230 % similar

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

Elsewhere

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