4,6-Dimethyldibenzothiophene

C₁₄H₁₂SCAS 1207-12-1212.31 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₂S
Molar mass: 212.31 g/mol
Exact mass: 212.0660 Da
Melting point: 153–157 °C
Boiling point: 340 °C
logP: 4.67Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

1207-12-1

SMILES

Cc1cccc2c1sc1c(C)cccc12

InChIKey

MYAQZIAVOLKEGW-UHFFFAOYSA-N

InChI

InChI=1S/C14H12S/c1-9-5-3-7-11-12-8-4-6-10(2)14(12)15-13(9)11/h3-8H,1-2H3

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

Names and synonyms

2 names

Dibenzothiophene, 4,6-dimethyl-
4,6-DMDBT

Work with 4,6-Dimethyldibenzothiophene

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,5-Dimethylnaphthalene571-61-957 % similar Methylnaphthalene1321-94-448 % similar 1-Methylnaphthalene90-12-048 % similar 1,4-Dimethylnaphthalene571-58-443 % similar O-Xylene95-47-643 % similar 2-Iodo-1,3-dimethylbenzene608-28-642 % similar 2-Chloro-1,3-dimethylbenzene6781-98-242 % similar 2,3-Dichlorotoluene32768-54-041 % similar

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

Same formula

2,8-Dimethyldibenzothiophene1207-15-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook