chempirical

Mesulfen

C14H12S2CAS 135-58-0244.37 g/mol

Open in Covalent MOL file
SS
Sulfide

Properties

Molecular formula
C14H12S2
Molar mass
244.37 g/mol
Exact mass
244.0380 Da
Melting point
123 °C
Boiling point
184 °C (at 3 Torr)
logP
4.92Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
135-58-0
SMILES
Cc1ccc2c(c1)Sc1ccc(C)cc1S2
InChIKey
AHXDSVSZEZHDLV-UHFFFAOYSA-N
InChI
InChI=1S/C14H12S2/c1-9-3-5-11-13(7-9)15-12-6-4-10(2)8-14(12)16-11/h3-8H,1-2H3

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Names and synonyms

14 names · show all
  • Thianthrene, 2,7-dimethyl-
  • 2,7-Dimethylthianthrene
  • Mesulphen
  • Mitigal
  • Neosulfine
  • Odylen
  • Sudermo
  • Cutilen
  • Cutosolo
  • Scabol
  • Thianthol
  • Mitabol
  • Thianthrol
  • Peligal

Work with Mesulfen

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

2,6-Dimethylnaphthalene581-42-045 % similar P-Xylene106-42-342 % similar 3,6-Dimethylphenanthrene1576-67-642 % similar 1,2,4-Trimethylbenzene95-63-642 % similar M-Xylene108-38-341 % similar 3,4-Dichlorotoluene95-75-040 % similar P-Tolyl disulfide103-19-539 % similar 4-Methylcatechol452-86-838 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook