(3R,4S)-3,4-bis(phenylmethoxy)thiolane 1,1-dioxide

C18H20O4S — CID 3053243

IUPAC(3R,4S)-3,4-bis(phenylmethoxy)thiolane 1,1-dioxide
SMILESO=S1(=O)C[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)C1
InChIInChI=1S/C18H20O4S/c19-23(20)13-17(21-11-15-7-3-1-4-8-15)18(14-23)22-12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2/t17-,18+
InChIKeyBXCAAKYFUXHZHD-HDICACEKSA-N
MW332.42 g/mol
LogP2.59
Rot. Bonds6

About (3R,4S)-3,4-bis(phenylmethoxy)thiolane 1,1-dioxide

(3R,4S)-3,4-bis(phenylmethoxy)thiolane 1,1-dioxide (PubChem CID 3053243) has the molecular formula C18H20O4S and a molecular weight of 332.42 g/mol. Its IUPAC name is (3R,4S)-3,4-bis(phenylmethoxy)thiolane 1,1-dioxide.

Molecular Properties

Compound Name(3R,4S)-3,4-bis(phenylmethoxy)thiolane 1,1-dioxide
PubChem CID3053243
Molecular FormulaC18H20O4S
Molecular Weight332.42 g/mol
Exact Mass332.11
IUPAC Name(3R,4S)-3,4-bis(phenylmethoxy)thiolane 1,1-dioxide
SMILESO=S1(=O)C[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)C1
InChIInChI=1S/C18H20O4S/c19-23(20)13-17(21-11-15-7-3-1-4-8-15)18(14-23)22-12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2/t17-,18+
InChIKeyBXCAAKYFUXHZHD-HDICACEKSA-N
XLogP2.59
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3,4-bis(phenylmethoxy)thiolane 1,1-dioxide?
The IUPAC name of (3R,4S)-3,4-bis(phenylmethoxy)thiolane 1,1-dioxide (CID 3053243) is (3R,4S)-3,4-bis(phenylmethoxy)thiolane 1,1-dioxide.
What is the SMILES notation for (3R,4S)-3,4-bis(phenylmethoxy)thiolane 1,1-dioxide?
The canonical SMILES for (3R,4S)-3,4-bis(phenylmethoxy)thiolane 1,1-dioxide is O=S1(=O)C[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)C1.
What is the InChIKey of (3R,4S)-3,4-bis(phenylmethoxy)thiolane 1,1-dioxide?
The InChIKey is BXCAAKYFUXHZHD-HDICACEKSA-N. The full InChI is InChI=1S/C18H20O4S/c19-23(20)13-17(21-11-15-7-3-1-4-8-15)18(14-23)22-12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2/t17-,18+.
What are the key properties of (3R,4S)-3,4-bis(phenylmethoxy)thiolane 1,1-dioxide?
(3R,4S)-3,4-bis(phenylmethoxy)thiolane 1,1-dioxide has a molecular weight of 332.42 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3,4-bis(phenylmethoxy)thiolane 1,1-dioxide is sourced from PubChem (CID 3053243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).