2,4,6-Trimethyl-1,3-benzenedimethanethiol

C₁₁H₁₆S₂CAS 10074-13-2212.37 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₆S₂
Molar mass: 212.37 g/mol
Exact mass: 212.0693 Da
logP: 3.47Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Identifiers

CAS number

10074-13-2

SMILES

CC1=CC(=C(C(=C1CS)C)CS)C

InChIKey

FDLRLJPEBZYMMO-UHFFFAOYSA-N

InChI

InChI=1S/C11H16S2/c1-7-4-8(2)11(6-13)9(3)10(7)5-12/h4,12-13H,5-6H2,1-3H3

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Names and synonyms

1 names

[3-(Mercaptomethyl)-2,4,6-trimethylphenyl]methanethiol

Work with 2,4,6-Trimethyl-1,3-benzenedimethanethiol

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

2,4,6-Trimethylbenzenemethanethiol21411-42-760 % similar Pentamethylbenzene700-12-943 % similar 2,3-Dihydro-2,2,4,6,7-pentamethylbenzofuran142874-81-537 % similar 3-Bromo-1,2,4,5-tetramethylbenzene1646-53-337 % similar 2,4,6-Trimethyl-1,3-phenylenediamine3102-70-337 % similar 2,4-Dibromo-1,3,5-trimethylbenzene6942-99-037 % similar 2,4,6-Trimethylbenzyl chloride1585-16-633 % similar 2,4,6-Trimethylbenzyl alcohol4170-90-533 % similar

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

Elsewhere

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