(2R,4S)-4-phenyl-1,3,2-dioxathiolane 2-oxide

C8H8O3S — CID 10921184

IUPAC(2R,4S)-4-phenyl-1,3,2-dioxathiolane 2-oxide
SMILESO=[S@@]1OC[C@H](c2ccccc2)O1
InChIInChI=1S/C8H8O3S/c9-12-10-6-8(11-12)7-4-2-1-3-5-7/h1-5,8H,6H2/t8-,12-/m1/s1
InChIKeyZGYVHBFAOMTCHT-PRHODGIISA-N
MW184.22 g/mol
LogP1.35
Rot. Bonds1

About (2R,4S)-4-phenyl-1,3,2-dioxathiolane 2-oxide

(2R,4S)-4-phenyl-1,3,2-dioxathiolane 2-oxide (PubChem CID 10921184) has the molecular formula C8H8O3S and a molecular weight of 184.22 g/mol. Its IUPAC name is (2R,4S)-4-phenyl-1,3,2-dioxathiolane 2-oxide.

Molecular Properties

Compound Name(2R,4S)-4-phenyl-1,3,2-dioxathiolane 2-oxide
PubChem CID10921184
Molecular FormulaC8H8O3S
Molecular Weight184.22 g/mol
Exact Mass184.02
IUPAC Name(2R,4S)-4-phenyl-1,3,2-dioxathiolane 2-oxide
SMILESO=[S@@]1OC[C@H](c2ccccc2)O1
InChIInChI=1S/C8H8O3S/c9-12-10-6-8(11-12)7-4-2-1-3-5-7/h1-5,8H,6H2/t8-,12-/m1/s1
InChIKeyZGYVHBFAOMTCHT-PRHODGIISA-N
XLogP1.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-(4-chlorophenyl)-1,3,2-dioxathiolane 2-oxide
CID 15273377
2-phenyloxirane
CID 7276
4-phenyl-1,3-dioxolan-2-one
CID 160714565
ethane;2-phenyloxirane
CID 54171856
(2R,5R)-5-methyl-2-phenyl-1,4-oxathiane 4-oxide
CID 102209195
(5S)-5-phenyl-1,4-dioxan-2-one
CID 101083967
5-phenyloxolane-2,3-dione
CID 14450727
(4R)-4-phenyl-3-propan-2-yloxathiazolidine 2-oxide
CID 23584844
(3S,5R)-5-phenyloxolan-3-ol
CID 97052112
4-methyl-5-phenyl-1,3,2-dioxathiolane 2-oxide
CID 14925068
(2S,5R)-3-cyclohexyl-5-phenyloxathiazolidine 2-oxide
CID 129385009
(2S,4S,5S)-4-(4-nitrophenyl)-2-oxo-1,3,2-dioxathian-5-amine
CID 11892078

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-phenyl-1,3,2-dioxathiolane 2-oxide?
The IUPAC name of (2R,4S)-4-phenyl-1,3,2-dioxathiolane 2-oxide (CID 10921184) is (2R,4S)-4-phenyl-1,3,2-dioxathiolane 2-oxide.
What is the SMILES notation for (2R,4S)-4-phenyl-1,3,2-dioxathiolane 2-oxide?
The canonical SMILES for (2R,4S)-4-phenyl-1,3,2-dioxathiolane 2-oxide is O=[S@@]1OC[C@H](c2ccccc2)O1.
What is the InChIKey of (2R,4S)-4-phenyl-1,3,2-dioxathiolane 2-oxide?
The InChIKey is ZGYVHBFAOMTCHT-PRHODGIISA-N. The full InChI is InChI=1S/C8H8O3S/c9-12-10-6-8(11-12)7-4-2-1-3-5-7/h1-5,8H,6H2/t8-,12-/m1/s1.
What are the key properties of (2R,4S)-4-phenyl-1,3,2-dioxathiolane 2-oxide?
(2R,4S)-4-phenyl-1,3,2-dioxathiolane 2-oxide has a molecular weight of 184.22 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-phenyl-1,3,2-dioxathiolane 2-oxide is sourced from PubChem (CID 10921184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).