(S)-4-Benzylthiazolidine-2-thione

C10H11NS2CAS 171877-39-7209.33 g/mol

Open in Covalent MOL file
HNSS
Sulfide

Properties

Molecular formula
C10H11NS2
Molar mass
209.33 g/mol
Exact mass
209.0333 Da
logP
2.22Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2
Stereocentres
Sin 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
171877-39-7
SMILES
C1[C@@H](NC(=S)S1)CC2=CC=CC=C2
InChIKey
SLDUGQISGRPGAW-VIFPVBQESA-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-/m0/s1

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Names and synonyms

1 names
  • (S)-4-Benzyl-1,3-thiazolidine-2-thione

Work with (S)-4-Benzylthiazolidine-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.

(4R)-4-(Phenylmethyl)-2-thiazolidinethione110199-17-2

Similar compounds

(R)-4-Phenyl-1,3-thiazolidine-2-thione110199-18-357 % similar (S)-4-Phenyl-1,3-thiazolidine-2-thione185137-29-557 % similar (S)-4-Benzyloxazolidine-2-thione145588-94-947 % similar (2S)-2-Benzylaziridine73058-30-742 % similar Meth537-46-238 % similar (S)-4-Isopropylthiazolidine-2-thione76186-04-438 % similar 2-Benzylpiperidine32838-55-437 % similar N1,N2-Bis(phenylmethyl)ethanedithioamide122-65-636 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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