(2R,3S)-2-(1,3-dithian-2-ylmethyl)oxan-3-ol

C10H18O2S2 — CID 11042686

IUPAC(2R,3S)-2-(1,3-dithian-2-ylmethyl)oxan-3-ol
SMILESO[C@H]1CCCO[C@@H]1CC1SCCCS1
InChIInChI=1S/C10H18O2S2/c11-8-3-1-4-12-9(8)7-10-13-5-2-6-14-10/h8-11H,1-7H2/t8-,9+/m0/s1
InChIKeyFWTKEFFPCDCZBW-DTWKUNHWSA-N
MW234.39 g/mol
LogP2.11
Rot. Bonds2

About (2R,3S)-2-(1,3-dithian-2-ylmethyl)oxan-3-ol

(2R,3S)-2-(1,3-dithian-2-ylmethyl)oxan-3-ol (PubChem CID 11042686) has the molecular formula C10H18O2S2 and a molecular weight of 234.39 g/mol. Its IUPAC name is (2R,3S)-2-(1,3-dithian-2-ylmethyl)oxan-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-(1,3-dithian-2-ylmethyl)oxan-3-ol
PubChem CID11042686
Molecular FormulaC10H18O2S2
Molecular Weight234.39 g/mol
Exact Mass234.07
IUPAC Name(2R,3S)-2-(1,3-dithian-2-ylmethyl)oxan-3-ol
SMILESO[C@H]1CCCO[C@@H]1CC1SCCCS1
InChIInChI=1S/C10H18O2S2/c11-8-3-1-4-12-9(8)7-10-13-5-2-6-14-10/h8-11H,1-7H2/t8-,9+/m0/s1
InChIKeyFWTKEFFPCDCZBW-DTWKUNHWSA-N
XLogP2.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(1,3-dithian-2-ylmethyl)oxan-3-ol?
The IUPAC name of (2R,3S)-2-(1,3-dithian-2-ylmethyl)oxan-3-ol (CID 11042686) is (2R,3S)-2-(1,3-dithian-2-ylmethyl)oxan-3-ol.
What is the SMILES notation for (2R,3S)-2-(1,3-dithian-2-ylmethyl)oxan-3-ol?
The canonical SMILES for (2R,3S)-2-(1,3-dithian-2-ylmethyl)oxan-3-ol is O[C@H]1CCCO[C@@H]1CC1SCCCS1.
What is the InChIKey of (2R,3S)-2-(1,3-dithian-2-ylmethyl)oxan-3-ol?
The InChIKey is FWTKEFFPCDCZBW-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H18O2S2/c11-8-3-1-4-12-9(8)7-10-13-5-2-6-14-10/h8-11H,1-7H2/t8-,9+/m0/s1.
What are the key properties of (2R,3S)-2-(1,3-dithian-2-ylmethyl)oxan-3-ol?
(2R,3S)-2-(1,3-dithian-2-ylmethyl)oxan-3-ol has a molecular weight of 234.39 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(1,3-dithian-2-ylmethyl)oxan-3-ol is sourced from PubChem (CID 11042686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).