2-ethylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanone

C12H20O2S2 — CID 79921148

IUPAC2-ethylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanone
SMILESCCSCC(=O)C1CCOC2(CCSC2)C1
InChIInChI=1S/C12H20O2S2/c1-2-15-8-11(13)10-3-5-14-12(7-10)4-6-16-9-12/h10H,2-9H2,1H3
InChIKeyMVOVEPREHXDHKW-UHFFFAOYSA-N
MW260.42 g/mol
LogP2.61
Rot. Bonds4

About 2-ethylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanone

2-ethylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanone (PubChem CID 79921148) has the molecular formula C12H20O2S2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 2-ethylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanone.

Molecular Properties

Compound Name2-ethylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanone
PubChem CID79921148
Molecular FormulaC12H20O2S2
Molecular Weight260.42 g/mol
Exact Mass260.09
IUPAC Name2-ethylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanone
SMILESCCSCC(=O)C1CCOC2(CCSC2)C1
InChIInChI=1S/C12H20O2S2/c1-2-15-8-11(13)10-3-5-14-12(7-10)4-6-16-9-12/h10H,2-9H2,1H3
InChIKeyMVOVEPREHXDHKW-UHFFFAOYSA-N
XLogP2.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanone?
The IUPAC name of 2-ethylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanone (CID 79921148) is 2-ethylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanone.
What is the SMILES notation for 2-ethylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanone?
The canonical SMILES for 2-ethylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanone is CCSCC(=O)C1CCOC2(CCSC2)C1.
What is the InChIKey of 2-ethylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanone?
The InChIKey is MVOVEPREHXDHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2S2/c1-2-15-8-11(13)10-3-5-14-12(7-10)4-6-16-9-12/h10H,2-9H2,1H3.
What are the key properties of 2-ethylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanone?
2-ethylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanone has a molecular weight of 260.42 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanone is sourced from PubChem (CID 79921148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).