Farnesylthiosalicylic acid

C₂₂H₃₀O₂SCAS 162520-00-5358.54 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid Sulfide

Properties

Molecular formula: C₂₂H₃₀O₂S
Molar mass: 358.54 g/mol
Exact mass: 358.1967 Da
logP: 6.90Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 10
Double bonds: E, EE/Z, in SMILES order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

162520-00-5

SMILES

CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)O

InChIKey

WUILNKCFCLNXOK-CFBAGHHKSA-N

InChI

InChI=1S/C22H30O2S/c1-17(2)9-7-10-18(3)11-8-12-19(4)15-16-25-21-14-6-5-13-20(21)22(23)24/h5-6,9,11,13-15H,7-8,10,12,16H2,1-4H3,(H,23,24)/b18-11+,19-15+

Weigh it out

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

Names and synonyms

7 names

Benzoic acid, 2-[[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]thio]-
Benzoic acid, 2-[(3,7,11-trimethyl-2,6,10-dodecatrienyl)thio]-, (E,E)-
Benzoic acid, 2-[[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl]thio]-
2-[[(2E,6E)-3,7,11-Trimethyl-2,6,10-dodecatrien-1-yl]thio]benzoic acid
S-Farnesylthiosalicylic acid
FTS
Salirasib

Work with Farnesylthiosalicylic acid

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

Vitamin K211032-49-848 % similar Menaquinone 72124-57-448 % similar Menaquinone 684-81-148 % similar Menaquinone 4863-61-648 % similar 2-(Methylthio)benzoic acid3724-10-547 % similar 2-[(Carboxymethyl)thio]benzoic acid135-13-746 % similar 2,2′-Dithiodibenzoic acid119-80-243 % similar Geranyl benzoate94-48-443 % similar

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

Same formula

2,2'-Thiobis(4-methyl-6-tert-butylphenol)90-66-4 Antioxidant 73696-66-2 4,4′-Thiobis[3-methyl-6-tert-butylphenol]96-69-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook