2,3,6,7,10,11-Triphenylenehexathiol

C₁₈H₁₂S₆CAS 100077-38-1420.65 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₈H₁₂S₆
Molar mass: 420.65 g/mol
Exact mass: 419.9263 Da
logP: 6.88Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 6 / 6
Rotatable bonds: 0

Identifiers

CAS number

100077-38-1

SMILES

C1=C2C3=CC(=C(C=C3C4=CC(=C(C=C4C2=CC(=C1S)S)S)S)S)S

InChIKey

HBSGIZZPDDQYBQ-UHFFFAOYSA-N

InChI

InChI=1S/C18H12S6/c19-13-1-7-8(2-14(13)20)10-4-17(23)18(24)6-12(10)11-5-16(22)15(21)3-9(7)11/h1-6,19-24H

Weigh it out

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

Names and synonyms

1 names

2,3,6,7,10,11-Triphenylene-hexathiol, triphenylene-2,3,6,7,10,11-hexathiol, 2,3,6,7,10,11-triphenylenehexathiol, triphenylene hexathiol, tht

Work with 2,3,6,7,10,11-Triphenylenehexathiol

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

Toluene-3,4-dithiol496-74-238 % similar 2,4,5-Trichlorobenzenethiol3773-14-635 % similar 2-Chlorobenzenethiol6320-03-233 % similar 2,3-Dichlorobenzenethiol17231-95-730 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook