2-(1,4-oxathian-2-ylsulfonyl)-1,4-oxathiane

C8H14O4S3 — CID 90923210

IUPAC2-(1,4-oxathian-2-ylsulfonyl)-1,4-oxathiane
SMILESO=S(=O)(C1CSCCO1)C1CSCCO1
InChIInChI=1S/C8H14O4S3/c9-15(10,7-5-13-3-1-11-7)8-6-14-4-2-12-8/h7-8H,1-6H2
InChIKeyJMRJJAKNGVFXBM-UHFFFAOYSA-N
MW270.40 g/mol
LogP0.58
Rot. Bonds2

About 2-(1,4-oxathian-2-ylsulfonyl)-1,4-oxathiane

2-(1,4-oxathian-2-ylsulfonyl)-1,4-oxathiane (PubChem CID 90923210) has the molecular formula C8H14O4S3 and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-(1,4-oxathian-2-ylsulfonyl)-1,4-oxathiane.

Molecular Properties

Compound Name2-(1,4-oxathian-2-ylsulfonyl)-1,4-oxathiane
PubChem CID90923210
Molecular FormulaC8H14O4S3
Molecular Weight270.40 g/mol
Exact Mass270.01
IUPAC Name2-(1,4-oxathian-2-ylsulfonyl)-1,4-oxathiane
SMILESO=S(=O)(C1CSCCO1)C1CSCCO1
InChIInChI=1S/C8H14O4S3/c9-15(10,7-5-13-3-1-11-7)8-6-14-4-2-12-8/h7-8H,1-6H2
InChIKeyJMRJJAKNGVFXBM-UHFFFAOYSA-N
XLogP0.58
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-oxathian-2-ylsulfonyl)-1,4-oxathiane?
The IUPAC name of 2-(1,4-oxathian-2-ylsulfonyl)-1,4-oxathiane (CID 90923210) is 2-(1,4-oxathian-2-ylsulfonyl)-1,4-oxathiane.
What is the SMILES notation for 2-(1,4-oxathian-2-ylsulfonyl)-1,4-oxathiane?
The canonical SMILES for 2-(1,4-oxathian-2-ylsulfonyl)-1,4-oxathiane is O=S(=O)(C1CSCCO1)C1CSCCO1.
What is the InChIKey of 2-(1,4-oxathian-2-ylsulfonyl)-1,4-oxathiane?
The InChIKey is JMRJJAKNGVFXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4S3/c9-15(10,7-5-13-3-1-11-7)8-6-14-4-2-12-8/h7-8H,1-6H2.
What are the key properties of 2-(1,4-oxathian-2-ylsulfonyl)-1,4-oxathiane?
2-(1,4-oxathian-2-ylsulfonyl)-1,4-oxathiane has a molecular weight of 270.40 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-oxathian-2-ylsulfonyl)-1,4-oxathiane is sourced from PubChem (CID 90923210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).