chempirical

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

C9H9NS2CAS 185137-29-5195.30 g/mol

Open in Covalent MOL file
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
Sin SMILES atom order

Hazards

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

Identifiers

CAS number
185137-29-5
SMILES
C1[C@@H](NC(=S)S1)C2=CC=CC=C2
InChIKey
IEXSISKCCADMLK-MRVPVSSYSA-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-/m1/s1

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Names and synonyms

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

Work with (S)-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.

(R)-4-Phenyl-1,3-thiazolidine-2-thione110199-18-3Enantiomer

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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