2-(oxolan-2-yl)-1-(thiolan-3-yl)ethanone

C10H16O2S — CID 65155481

IUPAC2-(oxolan-2-yl)-1-(thiolan-3-yl)ethanone
SMILESO=C(CC1CCCO1)C1CCSC1
InChIInChI=1S/C10H16O2S/c11-10(8-3-5-13-7-8)6-9-2-1-4-12-9/h8-9H,1-7H2
InChIKeySXCOSRPARHNIHZ-UHFFFAOYSA-N
MW200.30 g/mol
LogP1.88
Rot. Bonds3

About 2-(oxolan-2-yl)-1-(thiolan-3-yl)ethanone

2-(oxolan-2-yl)-1-(thiolan-3-yl)ethanone (PubChem CID 65155481) has the molecular formula C10H16O2S and a molecular weight of 200.30 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-1-(thiolan-3-yl)ethanone.

Molecular Properties

Compound Name2-(oxolan-2-yl)-1-(thiolan-3-yl)ethanone
PubChem CID65155481
Molecular FormulaC10H16O2S
Molecular Weight200.30 g/mol
Exact Mass200.09
IUPAC Name2-(oxolan-2-yl)-1-(thiolan-3-yl)ethanone
SMILESO=C(CC1CCCO1)C1CCSC1
InChIInChI=1S/C10H16O2S/c11-10(8-3-5-13-7-8)6-9-2-1-4-12-9/h8-9H,1-7H2
InChIKeySXCOSRPARHNIHZ-UHFFFAOYSA-N
XLogP1.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-Oxa-2-thiatricyclo[6.2.1.04,10]undecan-5-one
CID 163947558
Ethyl 5-(2-cyclopentylethyl)-3-oxothiolane-2-carboxylate
CID 179047641
4-(Oxolan-2-ylmethyl)-5-sulfanylidenethiolan-3-one
CID 4769893
Oxolan-3-yl(thiolan-2-yl)methanone
CID 64163628
Oxolan-2-yl(thiolan-3-yl)methanone
CID 64164012
Oxolan-3-yl(thiolan-3-yl)methanone
CID 64164018
Oxan-3-yl(thiolan-3-yl)methanone
CID 64164022
Oxan-3-yl(thiolan-2-yl)methanone
CID 64164283
3-(Oxan-2-yl)-1-(thiolan-3-yl)propan-1-one
CID 64164447
Oxan-2-yl(thiolan-3-yl)methanone
CID 64164678
3-(Oxolan-2-yl)-1-(thiolan-3-yl)propan-1-one
CID 65155480
Thiolan-3-yl-(2,4,5-trimethyloxolan-3-yl)methanone
CID 65155482

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-1-(thiolan-3-yl)ethanone?
The IUPAC name of 2-(oxolan-2-yl)-1-(thiolan-3-yl)ethanone (CID 65155481) is 2-(oxolan-2-yl)-1-(thiolan-3-yl)ethanone.
What is the SMILES notation for 2-(oxolan-2-yl)-1-(thiolan-3-yl)ethanone?
The canonical SMILES for 2-(oxolan-2-yl)-1-(thiolan-3-yl)ethanone is O=C(CC1CCCO1)C1CCSC1.
What is the InChIKey of 2-(oxolan-2-yl)-1-(thiolan-3-yl)ethanone?
The InChIKey is SXCOSRPARHNIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2S/c11-10(8-3-5-13-7-8)6-9-2-1-4-12-9/h8-9H,1-7H2.
What are the key properties of 2-(oxolan-2-yl)-1-(thiolan-3-yl)ethanone?
2-(oxolan-2-yl)-1-(thiolan-3-yl)ethanone has a molecular weight of 200.30 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-1-(thiolan-3-yl)ethanone is sourced from PubChem (CID 65155481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).