(3S,4R)-3,4-dimethoxythiolane 1,1-dioxide

C6H12O4S — CID 1271672

IUPAC(3S,4R)-3,4-dimethoxythiolane 1,1-dioxide
SMILESCO[C@H]1CS(=O)(=O)C[C@H]1OC
InChIInChI=1S/C6H12O4S/c1-9-5-3-11(7,8)4-6(5)10-2/h5-6H,3-4H2,1-2H3/t5-,6+
InChIKeyOSDHRUQHPRZLJH-OLQVQODUSA-N
MW180.22 g/mol
LogP-0.56
Rot. Bonds2

About (3S,4R)-3,4-dimethoxythiolane 1,1-dioxide

(3S,4R)-3,4-dimethoxythiolane 1,1-dioxide (PubChem CID 1271672) has the molecular formula C6H12O4S and a molecular weight of 180.22 g/mol. Its IUPAC name is (3S,4R)-3,4-dimethoxythiolane 1,1-dioxide.

Molecular Properties

Compound Name(3S,4R)-3,4-dimethoxythiolane 1,1-dioxide
PubChem CID1271672
Molecular FormulaC6H12O4S
Molecular Weight180.22 g/mol
Exact Mass180.05
IUPAC Name(3S,4R)-3,4-dimethoxythiolane 1,1-dioxide
SMILESCO[C@H]1CS(=O)(=O)C[C@H]1OC
InChIInChI=1S/C6H12O4S/c1-9-5-3-11(7,8)4-6(5)10-2/h5-6H,3-4H2,1-2H3/t5-,6+
InChIKeyOSDHRUQHPRZLJH-OLQVQODUSA-N
XLogP-0.56
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 5-0.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3,4-dimethoxythiolane 1,1-dioxide?
The IUPAC name of (3S,4R)-3,4-dimethoxythiolane 1,1-dioxide (CID 1271672) is (3S,4R)-3,4-dimethoxythiolane 1,1-dioxide.
What is the SMILES notation for (3S,4R)-3,4-dimethoxythiolane 1,1-dioxide?
The canonical SMILES for (3S,4R)-3,4-dimethoxythiolane 1,1-dioxide is CO[C@H]1CS(=O)(=O)C[C@H]1OC.
What is the InChIKey of (3S,4R)-3,4-dimethoxythiolane 1,1-dioxide?
The InChIKey is OSDHRUQHPRZLJH-OLQVQODUSA-N. The full InChI is InChI=1S/C6H12O4S/c1-9-5-3-11(7,8)4-6(5)10-2/h5-6H,3-4H2,1-2H3/t5-,6+.
What are the key properties of (3S,4R)-3,4-dimethoxythiolane 1,1-dioxide?
(3S,4R)-3,4-dimethoxythiolane 1,1-dioxide has a molecular weight of 180.22 g/mol, XLogP of -0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3,4-dimethoxythiolane 1,1-dioxide is sourced from PubChem (CID 1271672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).