(2R,5R)-5-methyl-2-phenyl-1,4-oxathiane 4-oxide

C11H14O2S — CID 102209195

IUPAC(2R,5R)-5-methyl-2-phenyl-1,4-oxathiane 4-oxide
SMILESC[C@@H]1CO[C@H](c2ccccc2)CS1=O
InChIInChI=1S/C11H14O2S/c1-9-7-13-11(8-14(9)12)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-,11+,14?/m1/s1
InChIKeyORLMHBCLSNTNSY-TZQLILQPSA-N
MW210.30 g/mol
LogP1.90
Rot. Bonds1

About (2R,5R)-5-methyl-2-phenyl-1,4-oxathiane 4-oxide

(2R,5R)-5-methyl-2-phenyl-1,4-oxathiane 4-oxide (PubChem CID 102209195) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is (2R,5R)-5-methyl-2-phenyl-1,4-oxathiane 4-oxide.

Molecular Properties

Compound Name(2R,5R)-5-methyl-2-phenyl-1,4-oxathiane 4-oxide
PubChem CID102209195
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name(2R,5R)-5-methyl-2-phenyl-1,4-oxathiane 4-oxide
SMILESC[C@@H]1CO[C@H](c2ccccc2)CS1=O
InChIInChI=1S/C11H14O2S/c1-9-7-13-11(8-14(9)12)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-,11+,14?/m1/s1
InChIKeyORLMHBCLSNTNSY-TZQLILQPSA-N
XLogP1.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-phenyloxirane
CID 54171856
2-phenyloxirane
CID 7276
(2S,4S)-2-methyl-4-phenyl-1,3-dioxolane
CID 10374766
(2R,4S)-4-phenyl-1,3,2-dioxathiolane 2-oxide
CID 10921184
(2R,5S)-5-phenyl-1,4-dioxane-2-carboxylic acid
CID 53350289
(2S,5S)-4-bromo-5-methyl-2-phenyloxane
CID 102496520
(5S)-5-phenyl-1,4-dioxan-2-one
CID 101083967
2-hydroperoxy-2-methylpropane;2-phenyloxirane
CID 159367370
(3S,5R)-5-phenyloxolan-3-ol
CID 97052112
2,5-dimethyl-3-phenyl-1,4-thiazinane 1-oxide
CID 66220159
2-methyl-4-phenylthiane 1-oxide
CID 134926040
2-(5-methyl-2-phenylmorpholin-4-yl)acetic acid
CID 119135239

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-methyl-2-phenyl-1,4-oxathiane 4-oxide?
The IUPAC name of (2R,5R)-5-methyl-2-phenyl-1,4-oxathiane 4-oxide (CID 102209195) is (2R,5R)-5-methyl-2-phenyl-1,4-oxathiane 4-oxide.
What is the SMILES notation for (2R,5R)-5-methyl-2-phenyl-1,4-oxathiane 4-oxide?
The canonical SMILES for (2R,5R)-5-methyl-2-phenyl-1,4-oxathiane 4-oxide is C[C@@H]1CO[C@H](c2ccccc2)CS1=O.
What is the InChIKey of (2R,5R)-5-methyl-2-phenyl-1,4-oxathiane 4-oxide?
The InChIKey is ORLMHBCLSNTNSY-TZQLILQPSA-N. The full InChI is InChI=1S/C11H14O2S/c1-9-7-13-11(8-14(9)12)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-,11+,14?/m1/s1.
What are the key properties of (2R,5R)-5-methyl-2-phenyl-1,4-oxathiane 4-oxide?
(2R,5R)-5-methyl-2-phenyl-1,4-oxathiane 4-oxide has a molecular weight of 210.30 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-methyl-2-phenyl-1,4-oxathiane 4-oxide is sourced from PubChem (CID 102209195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).