(S)-4-Isopropylthiazolidine-2-thione

C₆H₁₁NS₂CAS 76186-04-4161.28 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₁NS₂
Molar mass: 161.28 g/mol
Exact mass: 161.0333 Da
logP: 1.63Crippen estimate
Polar surface area: 12.0 Å²
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

76186-04-4

SMILES

CC(C)[C@H]1CSC(=S)N1

InChIKey

CWIZUGZKLJDJLE-RXMQYKEDSA-N

InChI

InChI=1S/C6H11NS2/c1-4(2)5-3-9-6(8)7-5/h4-5H,3H2,1-2H3,(H,7,8)/t5-/m1/s1

Weigh it out

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Work with (S)-4-Isopropylthiazolidine-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

Similar compounds

(S)-(-)-4-Isopropyl-2-oxazolidinethione104499-08-339 % similar (R)-4-Phenyl-1,3-thiazolidine-2-thione110199-18-339 % similar (S)-4-Phenyl-1,3-thiazolidine-2-thione185137-29-539 % similar (S)-4-Benzylthiazolidine-2-thione171877-39-738 % similar (4S)-(-)-4-Isopropyl-2-oxazolidinone17016-83-032 % similar

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

Elsewhere

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