4-tert-Butyldiphenyl sulfide

C₁₆H₁₈SCAS 85609-03-6242.38 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₁₈S
Molar mass: 242.38 g/mol
Exact mass: 242.1129 Da
logP: 5.14Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

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

85609-03-6

SMILES

CC(C)(C)C1=CC=C(C=C1)SC2=CC=CC=C2

InChIKey

KGRAEJDVHXHGSQ-UHFFFAOYSA-N

InChI

InChI=1S/C16H18S/c1-16(2,3)13-9-11-15(12-10-13)17-14-7-5-4-6-8-14/h4-12H,1-3H3

Weigh it out

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

Work with 4-tert-Butyldiphenyl sulfide

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

tert-Butylbenzene98-06-661 % similar 4-tert-Butylbiphenyl1625-92-958 % similar 1-(Phenylsulfanyl)-4-(trifluoromethyl)benzene53451-90-457 % similar 1,4-Di-tert-butylbenzene1012-72-255 % similar Diphenyl sulfide139-66-255 % similar 4-Methyldiphenyl sulfide3699-01-252 % similar (4-tert-Butyl-phenyl)-phenyl-amine4496-49-552 % similar 4,4′-Bis(1,1-dimethylethyl)-1,1′-biphenyl1625-91-848 % similar

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

Elsewhere

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