1,1′-[1,2-Ethanediylbis(thio)]bis[benzene]

C₁₄H₁₄S₂CAS 622-20-8246.39 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₄S₂
Molar mass: 246.39 g/mol
Exact mass: 246.0537 Da
Melting point: 70 °C
Boiling point: 67.5 °C
logP: 4.57Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 5

Hazards

Warning

H315 Causes skin irritation91.3% of notifiers
H319 Causes serious eye irritation91.3% of notifiers
H413 May cause long lasting harmful effects to aquatic life84.8% of notifiers

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

Precautionary statements

P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

622-20-8

SMILES

c1ccc(SCCSc2ccccc2)cc1

InChIKey

MHCVYAFXPIMYRD-UHFFFAOYSA-N

InChI

InChI=1S/C14H14S2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-10H,11-12H2

Weigh it out

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

Names and synonyms

8 names

Benzene, 1,1'-(1,2-ethanediylbis(thio))bis-
1,2-Bis(phenylthio)ethane
Benzene, 1,1′-[1,2-ethanediylbis(thio)]bis-
Ethane, 1,2-bis(phenylthio)-
NSC 21579
1,2-Bis(phenylsulfanyl)ethane
[[2-(Phenylsulfanyl)ethyl]sulfanyl]benzene
2-Phenylsulfanylethylsulfanylbenzene

Work with 1,1′-[1,2-Ethanediylbis(thio)]bis[benzene]

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

1,1′-[Methylenebis(thio)]bis[benzene]3561-67-967 % similar 2-Chloroethyl phenyl sulfide5535-49-967 % similar 2-(Phenylthio)ethanol699-12-767 % similar Ethyl phenyl sulfide622-38-857 % similar Chloromethyl phenyl sulphide7205-91-657 % similar Benzyl phenyl sulfide831-91-457 % similar 2-(Phenylthio)acetonitrile5219-61-452 % similar Diphenyl sulfide139-66-250 % similar

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

Same formula

p-Tolyl disulfide103-19-5 Dibenzyl disulfide150-60-7

Elsewhere

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