2-(Phenylthio)thiophene

C₁₀H₈S₂CAS 16718-12-0192.29 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₈S₂
Molar mass: 192.29 g/mol
Exact mass: 192.0067 Da
Density: 1.21 g/mL (at 20 °C)
Boiling point: 155–157 °C (at 15 Torr)
logP: 3.90Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

16718-12-0

SMILES

c1ccc(Sc2cccs2)cc1

InChIKey

JQTBWKNYWACCRU-UHFFFAOYSA-N

InChI

InChI=1S/C10H8S2/c1-2-5-9(6-3-1)12-10-7-4-8-11-10/h1-8H

Weigh it out

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

Names and synonyms

5 names

Thiophene, 2-(phenylthio)-
2-Phenylthiothiophene
Phenyl 2-thienyl sulfide
2-(Phenylsulfanyl)thiophene
2-Phenylsulfanylthiophene

Work with 2-(Phenylthio)thiophene

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′-Dithiobis[thiophene]6911-51-954 % similar Diphenyl sulfide139-66-250 % similar 2-(Methylthio)thiophene5780-36-948 % similar 2-Phenylthiophene825-55-839 % similar 4-Methyldiphenyl sulfide3699-01-238 % similar Diphenyl disulfide882-33-738 % similar 2,2′-Bithiophene492-97-736 % similar 2-(Phenylthio)aniline1134-94-735 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,5-Naphthalenedithiol5325-88-2

Elsewhere

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