2,3-Thioepoxy madol

C₂₀H₃₂OSCAS 4267-80-5320.54 g/mol

Open in Covalent MOL file

Alcohol Sulfide

Properties

Molecular formula: C₂₀H₃₂OS
Molar mass: 320.54 g/mol
Exact mass: 320.2174 Da
logP: 4.87Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0
Stereocentres: S, S, R, S, S, S, S, R, 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

4267-80-5

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(C[C@@H]5[C@H](C4)S5)C

InChIKey

UPLPHRJJTCUQAY-WIRWPRASSA-N

InChI

InChI=1S/C20H32OS/c1-18-11-17-16(22-17)10-12(18)4-5-13-14(18)6-8-19(2)15(13)7-9-20(19,3)21/h12-17,21H,4-11H2,1-3H3/t12-,13+,14-,15-,16-,17+,18-,19-,20-/m0/s1

Weigh it out

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

Names and synonyms

1 names

Androstan-17-ol, 2,3-epithio-17-methyl-, (2A,3A,5A,17B)-

Work with 2,3-Thioepoxy madol

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

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

Elsewhere

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