chempirical

4-(Mercaptomethyl)-1,8-dimercapto-3,6-dithiaoctane

C7H16S5CAS 131538-00-6260.50 g/mol

Open in Covalent MOL file
HSSSHSSH
SulfideThiol

Properties

Molecular formula
C7H16S5
Molar mass
260.50 g/mol
Exact mass
259.9856 Da
logP
2.61Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
8

Identifiers

CAS number
131538-00-6
SMILES
SCCSCC(CS)SCCS
InChIKey
CEUQYYYUSUCFKP-UHFFFAOYSA-N
InChI
InChI=1S/C7H16S5/c8-1-3-11-6-7(5-10)12-4-2-9/h7-10H,1-6H2

Weigh it out

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

Names and synonyms

10 names
  • 1-Propanethiol, 2,3-bis[(2-mercaptoethyl)thio]-
  • 2,3-Bis[(2-mercaptoethyl)thio]-1-propanethiol
  • 1,2-Bis[(2-mercaptoethyl)thio]-3-mercaptopropane
  • 4-(Mercaptomethyl)-3,6-dithia-1,8-octanedithiol
  • MR 7B
  • Thiocure DMPT
  • 2,3-Bis(2-mercaptoethylthio)-3-propane-1-thiol
  • 2,3-Di[(2-mercaptoethyl)thio]-1-propanethiol
  • Polythiol 501
  • Jingbo 501

Work with 4-(Mercaptomethyl)-1,8-dimercapto-3,6-dithiaoctane

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

2-Mercaptoethyl sulfide3570-55-643 % similar

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

Elsewhere

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