chempirical

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

C9H9NOSCAS 190970-57-1179.24 g/mol

Open in Covalent MOL file
NHSO

Properties

Molecular formula
C9H9NOS
Molar mass
179.24 g/mol
Exact mass
179.0405 Da
logP
1.63Crippen estimate
Polar surface area
21.3 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
190970-57-1
SMILES
C1[C@@H](NC(=S)O1)C2=CC=CC=C2
InChIKey
LVIJIGQKFDZTNC-MRVPVSSYSA-N
InChI
InChI=1S/C9H9NOS/c12-9-10-8(6-11-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,12)/t8-/m1/s1

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Names and synonyms

1 names
  • (4S)-4-Phenyl-1,3-oxazolidine-2-thione

Work with (S)-4-Phenyl-1,3-oxazolidine-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-Phenyl-2-oxazolidinone86217-38-161 % similar (S)-4-Benzyloxazolidine-2-thione145588-94-957 % similar (R)-4-Phenyl-1,3-thiazolidine-2-thione110199-18-346 % similar (S)-4-Phenyl-1,3-thiazolidine-2-thione185137-29-546 % similar (S)-(-)-4-Isopropyl-2-oxazolidinethione104499-08-339 % similar 2-Phenylpiperazine5271-26-139 % similar 1-Benzhydryl-2-thiourea92192-94-438 % similar Boc-L-phenylglycinol117049-14-637 % similar

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

Same formula

3-(Pyrrol-1-yl)thiophene-2-methanol107073-27-8 2-Methoxy-5-methylphenyl isothiocyanate190774-56-2 1-Ethoxy-2-isothiocyanatobenzene23163-84-0 5-Methoxy-2-methylbenzothiazole2941-69-7 6-Methoxy-2-methylbenzothiazole2941-72-2 1-Ethoxy-4-isothiocyanatobenzene3460-49-9 4-Methoxybenzyl isothiocyanate3694-57-3

Elsewhere

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