(S)-(-)-4-Isopropyl-2-oxazolidinethione

C6H11NOSCAS 104499-08-3145.22 g/mol

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OSHN

Properties

Molecular formula
C6H11NOS
Molar mass
145.22 g/mol
Exact mass
145.0561 Da
logP
0.92Crippen 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.

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Identifiers

CAS number
104499-08-3
SMILES
CC(C)[C@H]1COC(=S)N1
InChIKey
CIRDXQWBLPPFPN-RXMQYKEDSA-N
InChI
InChI=1S/C6H11NOS/c1-4(2)5-3-8-6(9)7-5/h4-5H,3H2,1-2H3,(H,7,9)/t5-/m1/s1

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Names and synonyms

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

Work with (S)-(-)-4-Isopropyl-2-oxazolidinethione

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

(4S)-(-)-4-Isopropyl-2-oxazolidinone17016-83-055 % similar (S)-4-Isopropylthiazolidine-2-thione76186-04-439 % similar (S)-4-Phenyl-1,3-oxazolidine-2-thione190970-57-139 % similar (S)-4-Benzyloxazolidine-2-thione145588-94-938 % similar Boc-D-valinol106391-87-132 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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