(2R)-2-(1,3-dithian-2-yl)oxane

C9H16OS2 — CID 134975053

IUPAC(2R)-2-(1,3-dithian-2-yl)oxane
SMILESC1CC[C@H](C2SCCCS2)OC1
InChIInChI=1S/C9H16OS2/c1-2-5-10-8(4-1)9-11-6-3-7-12-9/h8-9H,1-7H2/t8-/m1/s1
InChIKeyWNDVTAXRKPVRDV-MRVPVSSYSA-N
MW204.36 g/mol
LogP2.75
Rot. Bonds1

About (2R)-2-(1,3-dithian-2-yl)oxane

(2R)-2-(1,3-dithian-2-yl)oxane (PubChem CID 134975053) has the molecular formula C9H16OS2 and a molecular weight of 204.36 g/mol. Its IUPAC name is (2R)-2-(1,3-dithian-2-yl)oxane.

Molecular Properties

Compound Name(2R)-2-(1,3-dithian-2-yl)oxane
PubChem CID134975053
Molecular FormulaC9H16OS2
Molecular Weight204.36 g/mol
Exact Mass204.06
IUPAC Name(2R)-2-(1,3-dithian-2-yl)oxane
SMILESC1CC[C@H](C2SCCCS2)OC1
InChIInChI=1S/C9H16OS2/c1-2-5-10-8(4-1)9-11-6-3-7-12-9/h8-9H,1-7H2/t8-/m1/s1
InChIKeyWNDVTAXRKPVRDV-MRVPVSSYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,3-dithian-2-yl)oxane?
The IUPAC name of (2R)-2-(1,3-dithian-2-yl)oxane (CID 134975053) is (2R)-2-(1,3-dithian-2-yl)oxane.
What is the SMILES notation for (2R)-2-(1,3-dithian-2-yl)oxane?
The canonical SMILES for (2R)-2-(1,3-dithian-2-yl)oxane is C1CC[C@H](C2SCCCS2)OC1.
What is the InChIKey of (2R)-2-(1,3-dithian-2-yl)oxane?
The InChIKey is WNDVTAXRKPVRDV-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16OS2/c1-2-5-10-8(4-1)9-11-6-3-7-12-9/h8-9H,1-7H2/t8-/m1/s1.
What are the key properties of (2R)-2-(1,3-dithian-2-yl)oxane?
(2R)-2-(1,3-dithian-2-yl)oxane has a molecular weight of 204.36 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,3-dithian-2-yl)oxane is sourced from PubChem (CID 134975053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).