(1'R,5'R)-spiro[1,3-dithiolane-2,2'-bicyclo[3.1.0]hexane]-3'-one

C8H10OS2 — CID 139533041

IUPAC(1'R,5'R)-spiro[1,3-dithiolane-2,2'-bicyclo[3.1.0]hexane]-3'-one
SMILESO=C1C[C@H]2C[C@H]2C12SCCS2
InChIInChI=1S/C8H10OS2/c9-7-4-5-3-6(5)8(7)10-1-2-11-8/h5-6H,1-4H2/t5-,6-/m1/s1
InChIKeyPRHSSEWCEPJPOZ-PHDIDXHHSA-N
MW186.30 g/mol
LogP1.77
Rot. Bonds

About (1'R,5'R)-spiro[1,3-dithiolane-2,2'-bicyclo[3.1.0]hexane]-3'-one

(1'R,5'R)-spiro[1,3-dithiolane-2,2'-bicyclo[3.1.0]hexane]-3'-one (PubChem CID 139533041) has the molecular formula C8H10OS2 and a molecular weight of 186.30 g/mol. Its IUPAC name is (1'R,5'R)-spiro[1,3-dithiolane-2,2'-bicyclo[3.1.0]hexane]-3'-one.

Molecular Properties

Compound Name(1'R,5'R)-spiro[1,3-dithiolane-2,2'-bicyclo[3.1.0]hexane]-3'-one
PubChem CID139533041
Molecular FormulaC8H10OS2
Molecular Weight186.30 g/mol
Exact Mass186.02
IUPAC Name(1'R,5'R)-spiro[1,3-dithiolane-2,2'-bicyclo[3.1.0]hexane]-3'-one
SMILESO=C1C[C@H]2C[C@H]2C12SCCS2
InChIInChI=1S/C8H10OS2/c9-7-4-5-3-6(5)8(7)10-1-2-11-8/h5-6H,1-4H2/t5-,6-/m1/s1
InChIKeyPRHSSEWCEPJPOZ-PHDIDXHHSA-N
XLogP1.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1'R,5'R)-spiro[1,3-dithiolane-2,2'-bicyclo[3.1.0]hexane]-3'-one?
The IUPAC name of (1'R,5'R)-spiro[1,3-dithiolane-2,2'-bicyclo[3.1.0]hexane]-3'-one (CID 139533041) is (1'R,5'R)-spiro[1,3-dithiolane-2,2'-bicyclo[3.1.0]hexane]-3'-one.
What is the SMILES notation for (1'R,5'R)-spiro[1,3-dithiolane-2,2'-bicyclo[3.1.0]hexane]-3'-one?
The canonical SMILES for (1'R,5'R)-spiro[1,3-dithiolane-2,2'-bicyclo[3.1.0]hexane]-3'-one is O=C1C[C@H]2C[C@H]2C12SCCS2.
What is the InChIKey of (1'R,5'R)-spiro[1,3-dithiolane-2,2'-bicyclo[3.1.0]hexane]-3'-one?
The InChIKey is PRHSSEWCEPJPOZ-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H10OS2/c9-7-4-5-3-6(5)8(7)10-1-2-11-8/h5-6H,1-4H2/t5-,6-/m1/s1.
What are the key properties of (1'R,5'R)-spiro[1,3-dithiolane-2,2'-bicyclo[3.1.0]hexane]-3'-one?
(1'R,5'R)-spiro[1,3-dithiolane-2,2'-bicyclo[3.1.0]hexane]-3'-one has a molecular weight of 186.30 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,5'R)-spiro[1,3-dithiolane-2,2'-bicyclo[3.1.0]hexane]-3'-one is sourced from PubChem (CID 139533041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).