spiro[1,3-dithiolane-2,2'-bicyclo[3.1.0]hexane]-3'-one

C8H10OS2 — CID 155337305

IUPACspiro[1,3-dithiolane-2,2'-bicyclo[3.1.0]hexane]-3'-one
SMILESO=C1CC2CC2C12SCCS2
InChIInChI=1S/C8H10OS2/c9-7-4-5-3-6(5)8(7)10-1-2-11-8/h5-6H,1-4H2
InChIKeyPRHSSEWCEPJPOZ-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.77
Rot. Bonds

About spiro[1,3-dithiolane-2,2'-bicyclo[3.1.0]hexane]-3'-one

spiro[1,3-dithiolane-2,2'-bicyclo[3.1.0]hexane]-3'-one (PubChem CID 155337305) has the molecular formula C8H10OS2 and a molecular weight of 186.30 g/mol. Its IUPAC name is spiro[1,3-dithiolane-2,2'-bicyclo[3.1.0]hexane]-3'-one.

Molecular Properties

Compound Namespiro[1,3-dithiolane-2,2'-bicyclo[3.1.0]hexane]-3'-one
PubChem CID155337305
Molecular FormulaC8H10OS2
Molecular Weight186.30 g/mol
Exact Mass186.02
IUPAC Namespiro[1,3-dithiolane-2,2'-bicyclo[3.1.0]hexane]-3'-one
SMILESO=C1CC2CC2C12SCCS2
InChIInChI=1S/C8H10OS2/c9-7-4-5-3-6(5)8(7)10-1-2-11-8/h5-6H,1-4H2
InChIKeyPRHSSEWCEPJPOZ-UHFFFAOYSA-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

Analyze spiro[1,3-dithiolane-2,2'-bicyclo[3.1.0]hexane]-3'-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dithiolane-2,2'-bicyclo[3.1.0]hexane]-3'-one?
The IUPAC name of spiro[1,3-dithiolane-2,2'-bicyclo[3.1.0]hexane]-3'-one (CID 155337305) is spiro[1,3-dithiolane-2,2'-bicyclo[3.1.0]hexane]-3'-one.
What is the SMILES notation for spiro[1,3-dithiolane-2,2'-bicyclo[3.1.0]hexane]-3'-one?
The canonical SMILES for spiro[1,3-dithiolane-2,2'-bicyclo[3.1.0]hexane]-3'-one is O=C1CC2CC2C12SCCS2.
What is the InChIKey of spiro[1,3-dithiolane-2,2'-bicyclo[3.1.0]hexane]-3'-one?
The InChIKey is PRHSSEWCEPJPOZ-UHFFFAOYSA-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.
What are the key properties of spiro[1,3-dithiolane-2,2'-bicyclo[3.1.0]hexane]-3'-one?
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 spiro[1,3-dithiolane-2,2'-bicyclo[3.1.0]hexane]-3'-one is sourced from PubChem (CID 155337305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).