6,10-dithiaspiro[4.5]dec-2-ene

C8H12S2 — CID 101183759

IUPAC6,10-dithiaspiro[4.5]dec-2-ene
SMILESC1=CCC2(C1)SCCCS2
InChIInChI=1S/C8H12S2/c1-2-5-8(4-1)9-6-3-7-10-8/h1-2H,3-7H2
InChIKeyXGWRRKVCCPMFPE-UHFFFAOYSA-N
MW172.32 g/mol
LogP2.90
Rot. Bonds

About 6,10-dithiaspiro[4.5]dec-2-ene

6,10-dithiaspiro[4.5]dec-2-ene (PubChem CID 101183759) has the molecular formula C8H12S2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 6,10-dithiaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name6,10-dithiaspiro[4.5]dec-2-ene
PubChem CID101183759
Molecular FormulaC8H12S2
Molecular Weight172.32 g/mol
Exact Mass172.04
IUPAC Name6,10-dithiaspiro[4.5]dec-2-ene
SMILESC1=CCC2(C1)SCCCS2
InChIInChI=1S/C8H12S2/c1-2-5-8(4-1)9-6-3-7-10-8/h1-2H,3-7H2
InChIKeyXGWRRKVCCPMFPE-UHFFFAOYSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,10-dithiaspiro[4.5]dec-2-ene?
The IUPAC name of 6,10-dithiaspiro[4.5]dec-2-ene (CID 101183759) is 6,10-dithiaspiro[4.5]dec-2-ene.
What is the SMILES notation for 6,10-dithiaspiro[4.5]dec-2-ene?
The canonical SMILES for 6,10-dithiaspiro[4.5]dec-2-ene is C1=CCC2(C1)SCCCS2.
What is the InChIKey of 6,10-dithiaspiro[4.5]dec-2-ene?
The InChIKey is XGWRRKVCCPMFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S2/c1-2-5-8(4-1)9-6-3-7-10-8/h1-2H,3-7H2.
What are the key properties of 6,10-dithiaspiro[4.5]dec-2-ene?
6,10-dithiaspiro[4.5]dec-2-ene has a molecular weight of 172.32 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-dithiaspiro[4.5]dec-2-ene is sourced from PubChem (CID 101183759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).