(4S)-2,2-dibenzyl-4-phenyl-1,3-oxathiolane

C23H22OS — CID 12072397

IUPAC(4S)-2,2-dibenzyl-4-phenyl-1,3-oxathiolane
SMILESc1ccc(CC2(Cc3ccccc3)OC[C@H](c3ccccc3)S2)cc1
InChIInChI=1S/C23H22OS/c1-4-10-19(11-5-1)16-23(17-20-12-6-2-7-13-20)24-18-22(25-23)21-14-8-3-9-15-21/h1-15,22H,16-18H2/t22-/m1/s1
InChIKeyKBZAABTUEPLRKD-JOCHJYFZSA-N
MW346.50 g/mol
LogP5.67
Rot. Bonds5

About (4S)-2,2-dibenzyl-4-phenyl-1,3-oxathiolane

(4S)-2,2-dibenzyl-4-phenyl-1,3-oxathiolane (PubChem CID 12072397) has the molecular formula C23H22OS and a molecular weight of 346.50 g/mol. Its IUPAC name is (4S)-2,2-dibenzyl-4-phenyl-1,3-oxathiolane.

Molecular Properties

Compound Name(4S)-2,2-dibenzyl-4-phenyl-1,3-oxathiolane
PubChem CID12072397
Molecular FormulaC23H22OS
Molecular Weight346.50 g/mol
Exact Mass346.14
IUPAC Name(4S)-2,2-dibenzyl-4-phenyl-1,3-oxathiolane
SMILESc1ccc(CC2(Cc3ccccc3)OC[C@H](c3ccccc3)S2)cc1
InChIInChI=1S/C23H22OS/c1-4-10-19(11-5-1)16-23(17-20-12-6-2-7-13-20)24-18-22(25-23)21-14-8-3-9-15-21/h1-15,22H,16-18H2/t22-/m1/s1
InChIKeyKBZAABTUEPLRKD-JOCHJYFZSA-N
XLogP5.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.50
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,5-tri-O-benzyl-1,4-dideoxy-1,4-epithio-D-arabinitol
CID 10645810
2,2-Diphenyl-1,3-oxathiolane
CID 11096799
Vusvxipfuymiia-uhfffaoysa-
CID 21578781
benzyl 3,5-di-O-benzyl-2-deoxy-1,4-dithio-d-erythro-pentofuranoside
CID 11026498
3-Phenyl-1,4-oxathiane
CID 15248367
(1S,2S)-2-benzylsulfanyl-1,2-diphenylethanol
CID 16220331
Dibenzyl-tetrahydrofuran
CID 54399574
Triphenylthiopyrylium perchlorate
CID 129815504
4-Benzhydryloxy-1-methylthian-1-ium
CID 3087760
2-(4-Fluorophenyl)-2-phenyl-5-(5-phenylpentyl)-1,3-oxathiolane
CID 157262610
2-[[5-[2-Fluoro-4-(4-methylphenyl)phenyl]-2,3-dihydrothiophen-2-yl]methyl]oxolane
CID 166999902
6-Tritylsulfanylhexan-1-ol
CID 2754586

Frequently Asked Questions

What is the IUPAC name of (4S)-2,2-dibenzyl-4-phenyl-1,3-oxathiolane?
The IUPAC name of (4S)-2,2-dibenzyl-4-phenyl-1,3-oxathiolane (CID 12072397) is (4S)-2,2-dibenzyl-4-phenyl-1,3-oxathiolane.
What is the SMILES notation for (4S)-2,2-dibenzyl-4-phenyl-1,3-oxathiolane?
The canonical SMILES for (4S)-2,2-dibenzyl-4-phenyl-1,3-oxathiolane is c1ccc(CC2(Cc3ccccc3)OC[C@H](c3ccccc3)S2)cc1.
What is the InChIKey of (4S)-2,2-dibenzyl-4-phenyl-1,3-oxathiolane?
The InChIKey is KBZAABTUEPLRKD-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H22OS/c1-4-10-19(11-5-1)16-23(17-20-12-6-2-7-13-20)24-18-22(25-23)21-14-8-3-9-15-21/h1-15,22H,16-18H2/t22-/m1/s1.
What are the key properties of (4S)-2,2-dibenzyl-4-phenyl-1,3-oxathiolane?
(4S)-2,2-dibenzyl-4-phenyl-1,3-oxathiolane has a molecular weight of 346.50 g/mol, XLogP of 5.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2-dibenzyl-4-phenyl-1,3-oxathiolane is sourced from PubChem (CID 12072397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).