chempirical

(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. Search the SDS library

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

Weigh it out

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

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 Methamphetamine537-46-238 % 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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