chempirical

Cartap hydrochloride

C7H16ClN3O2S2CAS 15263-52-2273.79 g/mol

Open in Covalent MOL file
NSNH2OSNH2OHCl
SulfideTertiary amine

Properties

Molecular formula
C7H16ClN3O2S2
Molar mass
273.79 g/mol
Exact mass
273.0372 Da
logP
1.79Crippen estimate
Polar surface area
91.4 Ų
H-bond donors / acceptors
4 / 5
Rotatable bonds
5

Identifiers

CAS number
15263-52-2
SMILES
CN(C)C(CSC(=N)O)CSC(=N)O.Cl
InChIKey
MSHXTAQSSIEBQS-UHFFFAOYSA-N
InChI
InChI=1S/C7H15N3O2S2.ClH/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);1H

Weigh it out

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

Names and synonyms

13 names · show all
  • Carbamothioic acid, SC,SC′-[2-(dimethylamino)-1,3-propanediyl] ester, hydrochloride (1:1)
  • Carbamic acid, thio-, S,S′-[2-(dimethylamino)trimethylene] ester, monohydrochloride
  • Carbamothioic acid, S,S′-[2-(dimethylamino)-1,3-propanediyl] ester, monohydrochloride
  • 1,3-Propanedithiol, 2-(dimethylamino)-, dicarbamate (ester), monohydrochloride
  • NTD 2
  • 2-(Dimethylamino)-1,3-propanedithiol dicarbamate hydrochloride
  • Padan
  • 1,3-Bis(carbamoylthio)-2-(N,N-dimethylamino)propane hydrochloride
  • Vegetox
  • Padan 4G
  • Caldan
  • Suntap
  • Padan SG

Work with Cartap hydrochloride

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

Cartap15263-53-389 % similar Thiocyclam hydrogen oxalate31895-22-439 % similar 3-(Dimethylamino)azetidine dihydrochloride124668-49-136 % similar 4-(Dimethylamino)piperidine dihydrochloride4876-59-934 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook