(1'R,5'S)-spiro[1,3-dithiane-2,3'-6,8-dioxabicyclo[3.2.1]octane]

C9H14O2S2 — CID 10584937

IUPAC(1'R,5'S)-spiro[1,3-dithiane-2,3'-6,8-dioxabicyclo[3.2.1]octane]
SMILESC1CSC2(C[C@@H]3CO[C@H](C2)O3)SC1
InChIInChI=1S/C9H14O2S2/c1-2-12-9(13-3-1)4-7-6-10-8(5-9)11-7/h7-8H,1-6H2/t7-,8+/m1/s1
InChIKeyQHSDSMLOJSAPNQ-SFYZADRCSA-N
MW218.34 g/mol
LogP2.09
Rot. Bonds

About (1'R,5'S)-spiro[1,3-dithiane-2,3'-6,8-dioxabicyclo[3.2.1]octane]

(1'R,5'S)-spiro[1,3-dithiane-2,3'-6,8-dioxabicyclo[3.2.1]octane] (PubChem CID 10584937) has the molecular formula C9H14O2S2 and a molecular weight of 218.34 g/mol. Its IUPAC name is (1'R,5'S)-spiro[1,3-dithiane-2,3'-6,8-dioxabicyclo[3.2.1]octane].

Molecular Properties

Compound Name(1'R,5'S)-spiro[1,3-dithiane-2,3'-6,8-dioxabicyclo[3.2.1]octane]
PubChem CID10584937
Molecular FormulaC9H14O2S2
Molecular Weight218.34 g/mol
Exact Mass218.04
IUPAC Name(1'R,5'S)-spiro[1,3-dithiane-2,3'-6,8-dioxabicyclo[3.2.1]octane]
SMILESC1CSC2(C[C@@H]3CO[C@H](C2)O3)SC1
InChIInChI=1S/C9H14O2S2/c1-2-12-9(13-3-1)4-7-6-10-8(5-9)11-7/h7-8H,1-6H2/t7-,8+/m1/s1
InChIKeyQHSDSMLOJSAPNQ-SFYZADRCSA-N
XLogP2.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1'R,5'S)-spiro[1,3-dithiane-2,3'-6,8-dioxabicyclo[3.2.1]octane]?
The IUPAC name of (1'R,5'S)-spiro[1,3-dithiane-2,3'-6,8-dioxabicyclo[3.2.1]octane] (CID 10584937) is (1'R,5'S)-spiro[1,3-dithiane-2,3'-6,8-dioxabicyclo[3.2.1]octane].
What is the SMILES notation for (1'R,5'S)-spiro[1,3-dithiane-2,3'-6,8-dioxabicyclo[3.2.1]octane]?
The canonical SMILES for (1'R,5'S)-spiro[1,3-dithiane-2,3'-6,8-dioxabicyclo[3.2.1]octane] is C1CSC2(C[C@@H]3CO[C@H](C2)O3)SC1.
What is the InChIKey of (1'R,5'S)-spiro[1,3-dithiane-2,3'-6,8-dioxabicyclo[3.2.1]octane]?
The InChIKey is QHSDSMLOJSAPNQ-SFYZADRCSA-N. The full InChI is InChI=1S/C9H14O2S2/c1-2-12-9(13-3-1)4-7-6-10-8(5-9)11-7/h7-8H,1-6H2/t7-,8+/m1/s1.
What are the key properties of (1'R,5'S)-spiro[1,3-dithiane-2,3'-6,8-dioxabicyclo[3.2.1]octane]?
(1'R,5'S)-spiro[1,3-dithiane-2,3'-6,8-dioxabicyclo[3.2.1]octane] has a molecular weight of 218.34 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,5'S)-spiro[1,3-dithiane-2,3'-6,8-dioxabicyclo[3.2.1]octane] is sourced from PubChem (CID 10584937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).