(4S,5R)-4,5-diphenyl-1,3-oxathiolane-2-thione

C15H12OS2 — CID 24874214

IUPAC(4S,5R)-4,5-diphenyl-1,3-oxathiolane-2-thione
SMILESS=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)S1
InChIInChI=1S/C15H12OS2/c17-15-16-13(11-7-3-1-4-8-11)14(18-15)12-9-5-2-6-10-12/h1-10,13-14H/t13-,14+/m1/s1
InChIKeyLJZKSHZCISZUNF-KGLIPLIRSA-N
MW272.39 g/mol
LogP4.52
Rot. Bonds2

About (4S,5R)-4,5-diphenyl-1,3-oxathiolane-2-thione

(4S,5R)-4,5-diphenyl-1,3-oxathiolane-2-thione (PubChem CID 24874214) has the molecular formula C15H12OS2 and a molecular weight of 272.39 g/mol. Its IUPAC name is (4S,5R)-4,5-diphenyl-1,3-oxathiolane-2-thione.

Molecular Properties

Compound Name(4S,5R)-4,5-diphenyl-1,3-oxathiolane-2-thione
PubChem CID24874214
Molecular FormulaC15H12OS2
Molecular Weight272.39 g/mol
Exact Mass272.03
IUPAC Name(4S,5R)-4,5-diphenyl-1,3-oxathiolane-2-thione
SMILESS=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)S1
InChIInChI=1S/C15H12OS2/c17-15-16-13(11-7-3-1-4-8-11)14(18-15)12-9-5-2-6-10-12/h1-10,13-14H/t13-,14+/m1/s1
InChIKeyLJZKSHZCISZUNF-KGLIPLIRSA-N
XLogP4.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(5S,6R)-5,6-diphenyl-1,4-oxathian-2-one
CID 15665870
(2R,3R)-5,7-ditert-butyl-2,3-diphenyl-2,3-dihydro-1,4-benzoxathiine
CID 102022126
(2R,3S)-2-phenyl-3-[(2S,3R)-3-phenyloxiran-2-yl]oxirane
CID 134931681
(3S,4S)-3,4-diphenyldioxetane
CID 71394517
2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane
CID 20606657
(2R,3S,4S,5R)-2,3,4,5-tetraphenyloxolane
CID 102288914
(2S,3R)-2-methyl-3-phenylthiirane
CID 134929070
(5R,6S)-5,6-diphenyl-2-sulfanylidene-1,3-thiazinan-4-one
CID 94189298
1,4-diphenyl-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione
CID 13310359
2-hydroxy-4,5-diphenyl-1,3,2λ5-oxathiaphospholane 2-oxide
CID 58900579
4-(dimethylamino)-2-phenyl-2,3-dihydrothiopyran-6-thione
CID 12661900
7-phenyl-2,5-dioxabicyclo[4.1.0]heptane
CID 12910404

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4,5-diphenyl-1,3-oxathiolane-2-thione?
The IUPAC name of (4S,5R)-4,5-diphenyl-1,3-oxathiolane-2-thione (CID 24874214) is (4S,5R)-4,5-diphenyl-1,3-oxathiolane-2-thione.
What is the SMILES notation for (4S,5R)-4,5-diphenyl-1,3-oxathiolane-2-thione?
The canonical SMILES for (4S,5R)-4,5-diphenyl-1,3-oxathiolane-2-thione is S=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)S1.
What is the InChIKey of (4S,5R)-4,5-diphenyl-1,3-oxathiolane-2-thione?
The InChIKey is LJZKSHZCISZUNF-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H12OS2/c17-15-16-13(11-7-3-1-4-8-11)14(18-15)12-9-5-2-6-10-12/h1-10,13-14H/t13-,14+/m1/s1.
What are the key properties of (4S,5R)-4,5-diphenyl-1,3-oxathiolane-2-thione?
(4S,5R)-4,5-diphenyl-1,3-oxathiolane-2-thione has a molecular weight of 272.39 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4,5-diphenyl-1,3-oxathiolane-2-thione is sourced from PubChem (CID 24874214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).