Cyclopropyl phenyl sulfide

C₉H₁₀SCAS 14633-54-6150.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₀S
Molar mass: 150.24 g/mol
Exact mass: 150.0503 Da
logP: 2.94Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation97.8% of notifiers
H319 Causes serious eye irritation97.8% of notifiers
H335 May cause respiratory irritation87% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

14633-54-6

SMILES

C1CC1SC2=CC=CC=C2

InChIKey

YIBKCPJOFAUAKY-UHFFFAOYSA-N

InChI

InChI=1S/C9H10S/c1-2-4-8(5-3-1)10-9-6-7-9/h1-5,9H,6-7H2

Weigh it out

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Work with Cyclopropyl phenyl 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

2,2-Dichlorocyclopropyl phenyl sulfide63289-85-045 % similar 1,1′-[Methylenebis(thio)]bis[benzene]3561-67-943 % similar 1,1′-[1,2-Ethanediylbis(thio)]bis[benzene]622-20-843 % similar Diphenyl sulfide139-66-243 % similar Diphenyl disulfide882-33-743 % similar Ethyl phenyl sulfide622-38-838 % similar Chloromethyl phenyl sulphide7205-91-638 % similar Benzyl phenyl sulfide831-91-438 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

S-Allylthiobenzene5296-64-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook