2,6-dithiaspiro[4.5]decan-9-one

C8H12OS2 — CID 82404855

IUPAC2,6-dithiaspiro[4.5]decan-9-one
SMILESO=C1CCSC2(CCSC2)C1
InChIInChI=1S/C8H12OS2/c9-7-1-3-11-8(5-7)2-4-10-6-8/h1-6H2
InChIKeyDXVAFLZYXZUXMU-UHFFFAOYSA-N
MW188.32 g/mol
LogP1.96
Rot. Bonds

About 2,6-dithiaspiro[4.5]decan-9-one

2,6-dithiaspiro[4.5]decan-9-one (PubChem CID 82404855) has the molecular formula C8H12OS2 and a molecular weight of 188.32 g/mol. Its IUPAC name is 2,6-dithiaspiro[4.5]decan-9-one.

Molecular Properties

Compound Name2,6-dithiaspiro[4.5]decan-9-one
PubChem CID82404855
Molecular FormulaC8H12OS2
Molecular Weight188.32 g/mol
Exact Mass188.03
IUPAC Name2,6-dithiaspiro[4.5]decan-9-one
SMILESO=C1CCSC2(CCSC2)C1
InChIInChI=1S/C8H12OS2/c9-7-1-3-11-8(5-7)2-4-10-6-8/h1-6H2
InChIKeyDXVAFLZYXZUXMU-UHFFFAOYSA-N
XLogP1.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.32
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-methyl-1-thia-9-azaspiro[5.5]undecan-4-one
CID 82397620
2-thia-7-azaspiro[4.4]nonan-8-one
CID 66109543
1-oxa-7-thia-2-azaspiro[4.4]nonan-3-one
CID 105431238
7-thia-2-azaspiro[4.5]decan-3-one
CID 66107389
(5R)-7-thia-2-azaspiro[4.4]nonane-1,3-dione
CID 51885348
thiolan-3-one
CID 167669563
2-thiaspiro[4.4]nonane
CID 20542465
7-oxa-1-thiaspiro[5.5]undecan-10-one
CID 10375187
1-methyl-7-thia-2-azaspiro[4.4]nonan-3-one
CID 66109126
7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4868343
4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-one
CID 83261331
methane;thian-4-one;N-(thian-4-ylidene)hydroxylamine
CID 144507219

Frequently Asked Questions

What is the IUPAC name of 2,6-dithiaspiro[4.5]decan-9-one?
The IUPAC name of 2,6-dithiaspiro[4.5]decan-9-one (CID 82404855) is 2,6-dithiaspiro[4.5]decan-9-one.
What is the SMILES notation for 2,6-dithiaspiro[4.5]decan-9-one?
The canonical SMILES for 2,6-dithiaspiro[4.5]decan-9-one is O=C1CCSC2(CCSC2)C1.
What is the InChIKey of 2,6-dithiaspiro[4.5]decan-9-one?
The InChIKey is DXVAFLZYXZUXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12OS2/c9-7-1-3-11-8(5-7)2-4-10-6-8/h1-6H2.
What are the key properties of 2,6-dithiaspiro[4.5]decan-9-one?
2,6-dithiaspiro[4.5]decan-9-one has a molecular weight of 188.32 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dithiaspiro[4.5]decan-9-one is sourced from PubChem (CID 82404855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).