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

C18H20O4S — CID 3053244

IUPAC(3R,4R)-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-/m0/s1
InChIKeyBXCAAKYFUXHZHD-ROUUACIJSA-N
MW332.42 g/mol
LogP2.59
Rot. Bonds6

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

(3R,4R)-3,4-bis(phenylmethoxy)thiolane 1,1-dioxide (PubChem CID 3053244) has the molecular formula C18H20O4S and a molecular weight of 332.42 g/mol. Its IUPAC name is (3R,4R)-3,4-bis(phenylmethoxy)thiolane 1,1-dioxide.

Molecular Properties

Compound Name(3R,4R)-3,4-bis(phenylmethoxy)thiolane 1,1-dioxide
PubChem CID3053244
Molecular FormulaC18H20O4S
Molecular Weight332.42 g/mol
Exact Mass332.11
IUPAC Name(3R,4R)-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-/m0/s1
InChIKeyBXCAAKYFUXHZHD-ROUUACIJSA-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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Related Compounds

Ethyl 2,3,4-tri-O-benzyl-b-L-thiofucopyranoside
CID 10896107
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CID 25257437
5-Benzyl-5-ethyl-4-(p-tolylmethoxy)oxathiole 2,2-dioxide
CID 25257439
5,5-Dibenzyl-4-benzyloxy-oxathiole 2,2-dioxide
CID 25257676
5-Benzyl-4-benzyloxy-5-ethyl-oxathiole 2,2-dioxide
CID 25258113
(2R,5R)-3-ethenylsulfonyl-5-methoxy-2-(phenylmethoxymethyl)-2,5-dihydrofuran
CID 46871914
Thiophene, tetrahydro-3,4-dibenzyloxy-, 1,1-dioxide, (Z)-
CID 3053243
1-[(4-Chlorophenyl)methylsulfonyl]-3-phenylmethoxypropan-2-ol
CID 2843107
4-Benzyloxy-5,5-diethyl-oxathiole 2,2-dioxide
CID 25256974
5-Benzyl-4-benzyloxy-5-propyl-oxathiole 2,2-dioxide
CID 25256975
5-Benzyl-4-benzyloxy-5-isopropyl-oxathiole 2,2-dioxide
CID 25256976
4-Benzhydryloxy-5-benzyl-5-ethyl-oxathiole 2,2-dioxide
CID 25257205

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3,4-bis(phenylmethoxy)thiolane 1,1-dioxide?
The IUPAC name of (3R,4R)-3,4-bis(phenylmethoxy)thiolane 1,1-dioxide (CID 3053244) is (3R,4R)-3,4-bis(phenylmethoxy)thiolane 1,1-dioxide.
What is the SMILES notation for (3R,4R)-3,4-bis(phenylmethoxy)thiolane 1,1-dioxide?
The canonical SMILES for (3R,4R)-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,4R)-3,4-bis(phenylmethoxy)thiolane 1,1-dioxide?
The InChIKey is BXCAAKYFUXHZHD-ROUUACIJSA-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-/m0/s1.
What are the key properties of (3R,4R)-3,4-bis(phenylmethoxy)thiolane 1,1-dioxide?
(3R,4R)-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,4R)-3,4-bis(phenylmethoxy)thiolane 1,1-dioxide is sourced from PubChem (CID 3053244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).