(R)-4-Phenyl-1,3-thiazolidine-2-thione

C9H9NS2CAS 110199-18-3195.30 g/mol

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NHSS
Sulfide

Properties

Molecular formula
C9H9NS2
Molar mass
195.30 g/mol
Exact mass
195.0176 Da
logP
2.35Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1
Stereocentres
Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
110199-18-3
SMILES
C1[C@H](NC(=S)S1)C2=CC=CC=C2
InChIKey
IEXSISKCCADMLK-QMMMGPOBSA-N
InChI
InChI=1S/C9H9NS2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,11)/t8-/m0/s1

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Names and synonyms

1 names
  • (R)-4-Phenylthiazolidine-2-thione

Work with (R)-4-Phenyl-1,3-thiazolidine-2-thione

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-Phenyl-1,3-thiazolidine-2-thione185137-29-5Enantiomer

Similar compounds

(S)-4-Benzylthiazolidine-2-thione171877-39-757 % similar (S)-4-Phenyl-1,3-oxazolidine-2-thione190970-57-146 % similar (S)-(+)-4-Phenyl-2-oxazolidinone86217-38-139 % similar (S)-4-Isopropylthiazolidine-2-thione76186-04-439 % similar 1-Benzhydryl-2-thiourea92192-94-438 % similar 2-Phenylpyrrolidine1006-64-036 % similar 2-Phenylpiperidine3466-80-635 % similar 2-Phenylpiperazine5271-26-135 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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