chempirical

Taurolidine

C7H16N4O4S2CAS 19388-87-5284.35 g/mol

Open in Covalent MOL file
OSONNSOOHNHN
SulfonamideTertiary amine

Properties

Molecular formula
C7H16N4O4S2
Molar mass
284.35 g/mol
Exact mass
284.0613 Da
Melting point
156 °C
logP
-2.67Crippen estimate
Polar surface area
98.8 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
19388-87-5
SMILES
O=S1(=O)CCN(CN2CCS(=O)(=O)NC2)CN1
InChIKey
AJKIRUJIDFJUKJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H16N4O4S2/c12-16(13)3-1-10(5-8-16)7-11-2-4-17(14,15)9-6-11/h8-9H,1-7H2

Weigh it out

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

Names and synonyms

5 names
  • 2H-1,2,4-Thiadiazine, 4,4′-methylenebis[tetrahydro-, 1,1,1′,1′-tetraoxide
  • Taurolin
  • 4,4′-Methylenebis(perhydro-1,2,4-thiadiazin 1,1-dioxide)
  • Tauroline
  • T 7329

Work with Taurolidine

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

Taurultam38668-01-839 % similar PIPES5625-37-630 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook