(5S)-2,2-dibenzyl-5-methyl-1,3-oxathiolane

C18H20OS — CID 12072425

IUPAC(5S)-2,2-dibenzyl-5-methyl-1,3-oxathiolane
SMILESC[C@H]1CSC(Cc2ccccc2)(Cc2ccccc2)O1
InChIInChI=1S/C18H20OS/c1-15-14-20-18(19-15,12-16-8-4-2-5-9-16)13-17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3/t15-/m0/s1
InChIKeyDFWLDGAIKAHUOZ-HNNXBMFYSA-N
MW284.42 g/mol
LogP4.32
Rot. Bonds4

About (5S)-2,2-dibenzyl-5-methyl-1,3-oxathiolane

(5S)-2,2-dibenzyl-5-methyl-1,3-oxathiolane (PubChem CID 12072425) has the molecular formula C18H20OS and a molecular weight of 284.42 g/mol. Its IUPAC name is (5S)-2,2-dibenzyl-5-methyl-1,3-oxathiolane.

Molecular Properties

Compound Name(5S)-2,2-dibenzyl-5-methyl-1,3-oxathiolane
PubChem CID12072425
Molecular FormulaC18H20OS
Molecular Weight284.42 g/mol
Exact Mass284.12
IUPAC Name(5S)-2,2-dibenzyl-5-methyl-1,3-oxathiolane
SMILESC[C@H]1CSC(Cc2ccccc2)(Cc2ccccc2)O1
InChIInChI=1S/C18H20OS/c1-15-14-20-18(19-15,12-16-8-4-2-5-9-16)13-17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3/t15-/m0/s1
InChIKeyDFWLDGAIKAHUOZ-HNNXBMFYSA-N
XLogP4.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R,4S)-2-benzhydryl-1,3-dioxolan-4-yl]methyl-dimethylsulfanium perchlorate
CID 76308443
[(2R,4R)-2-benzhydryl-1,3-dioxolan-4-yl]methyl-dimethylsulfanium perchlorate
CID 76312111
2H-Thiopyranium, tetrahydro-4-(diphenylmethoxy)-1-methyl-, iodide
CID 3087759
1-(1-Hydroxy-2-phenylethyl)sulfanyl-2-phenylethanol
CID 163195816
2,2-Diphenyl-1,3-oxathiolane
CID 11096799
5-Benzyl-1,3-oxathiolane-2-thione
CID 23568274
2-Methyl-4,4-diphenyloxolane
CID 24799575
(3R)-3-benzyl-1-oxa-6,10-dithiaspiro[4.5]decane
CID 10084297
2-[(2S,4S)-2,4-dimethyloctyl]-2-[[(3R,4R)-4-phenylmethoxythiolan-3-yl]methyl]-1,3-dithiane
CID 11213502
[(2-Ethoxy-2-phenylethyl)sulfanyl]benzene
CID 13207462
2-butoxy-4-phenyl-3,4,5,6-tetrahydro-2H-benzo[h]thiochromene
CID 13402781
(1R,2S)-2-tert-butylsulfanyl-1,3-diphenylpropan-1-ol
CID 15257346

Frequently Asked Questions

What is the IUPAC name of (5S)-2,2-dibenzyl-5-methyl-1,3-oxathiolane?
The IUPAC name of (5S)-2,2-dibenzyl-5-methyl-1,3-oxathiolane (CID 12072425) is (5S)-2,2-dibenzyl-5-methyl-1,3-oxathiolane.
What is the SMILES notation for (5S)-2,2-dibenzyl-5-methyl-1,3-oxathiolane?
The canonical SMILES for (5S)-2,2-dibenzyl-5-methyl-1,3-oxathiolane is C[C@H]1CSC(Cc2ccccc2)(Cc2ccccc2)O1.
What is the InChIKey of (5S)-2,2-dibenzyl-5-methyl-1,3-oxathiolane?
The InChIKey is DFWLDGAIKAHUOZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20OS/c1-15-14-20-18(19-15,12-16-8-4-2-5-9-16)13-17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3/t15-/m0/s1.
What are the key properties of (5S)-2,2-dibenzyl-5-methyl-1,3-oxathiolane?
(5S)-2,2-dibenzyl-5-methyl-1,3-oxathiolane has a molecular weight of 284.42 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2,2-dibenzyl-5-methyl-1,3-oxathiolane is sourced from PubChem (CID 12072425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).