(4R)-4-(Phenylmethyl)-2-thiazolidinethione

C₁₀H₁₁NS₂CAS 110199-17-2209.32 g/mol

Open in Covalent MOL file

Sulfide Thiol

Properties

Molecular formula: C₁₀H₁₁NS₂
Molar mass: 209.32 g/mol
Exact mass: 209.0333 Da
logP: 2.63Crippen estimate
Polar surface area: 12.4 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2
Stereocentres: Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

110199-17-2

SMILES

SC1=N[C@H](Cc2ccccc2)CS1

InChIKey

SLDUGQISGRPGAW-SECBINFHSA-N

InChI

InChI=1S/C10H11NS2/c12-10-11-9(7-13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)/t9-/m1/s1

Weigh it out

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

Names and synonyms

6 names

(4R)-4-Benzyl-1,3-thiazolidine-2-thione
(R)-4-Benzyl-thiazolidine-2-thione
2-Thiazolidinethione, 4-(phenylmethyl)-, (4R)-
2-Thiazolidinethione, 4-(phenylmethyl)-, (R)-
(R)-4-Benzylthiazolidine-2-thione
(R)-4-Benzyl-1,3-thiazolidine-2-thione

Work with (4R)-4-(Phenylmethyl)-2-thiazolidinethione

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(S)-4-Benzylthiazolidine-2-thione171877-39-7

Similar compounds

(R)-4-Benzyl-2-oxazolidinone102029-44-741 % similar (S)-4-Benzyl-2-oxazolidinone90719-32-741 % similar (R,R)-1,6-Diphenylhexane-2,5-diamine dihydrochloride1247119-31-837 % similar Phenylalaninol16088-07-637 % similar L-Phenylalaninol3182-95-437 % similar D-Phenylalaninol5267-64-137 % similar Phenylalaninamide5241-58-737 % similar β-Aminobenzenebutanoic acid15099-85-136 % similar

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

Elsewhere

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