6-(Dibenzylcarbamothioyldisulfanyl)hexylsulfanyl N,N-dibenzylcarbamodithioate

C₃₆H₄₀N₂S₆CAS 151900-44-6693.09 g/mol

Open in Covalent MOL file

Disulfide

Properties

Molecular formula: C₃₆H₄₀N₂S₆
Molar mass: 693.09 g/mol
Exact mass: 692.1516 Da
logP: 11.28Crippen estimate
Polar surface area: 6.5 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 17

Hazards

H413 May cause long lasting harmful effects to aquatic lifeHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 607-471-00-7), via PubChem.

Precautionary statements

P273, P501

Identifiers

CAS number

151900-44-6

SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=S)SSCCCCCCSSC(=S)N(CC3=CC=CC=C3)CC4=CC=CC=C4

InChIKey

ZEUAKOUTLQUQDN-UHFFFAOYSA-N

InChI

InChI=1S/C36H40N2S6/c39-35(37(27-31-17-7-3-8-18-31)28-32-19-9-4-10-20-32)43-41-25-15-1-2-16-26-42-44-36(40)38(29-33-21-11-5-12-22-33)30-34-23-13-6-14-24-34/h3-14,17-24H,1-2,15-16,25-30H2

Weigh it out

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

Names and synonyms

4 names

Carbamo(dithioperoxo)thioic acid, N,N-bis(phenylmethyl)-, C,C'-1,6-hexanediyl ester
1,6-Bis((dibenzylthiocarbamoyl)disulfanyl)hexane
Carbamo(dithioperoxo)thioic acid, bis(phenylmethyl)-, 1,6-hexanediyl ester
1,6-Bis(N,N'-dibenzylthiocarbamoyldithio)-hexan

Work with 6-(Dibenzylcarbamothioyldisulfanyl)hexylsulfanyl N,N-dibenzylcarbamodithioate

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

Tetrabenzylthiuram disulfide10591-85-272 % similar Zinc dibenzyldithiocarbamate14726-36-441 % similar 1-Benzyl-3-pyrrolidone5291-77-038 % similar 1-Benzylpiperidine2905-56-838 % similar N-Benzyl-2,3-azetidinedione75986-07-136 % similar Tribenzylamine620-40-635 % similar Diethyldiphenylthiuram disulfide41365-24-635 % similar Dipentamethylenethiuram tetrasulfide120-54-734 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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