5-(thiolan-3-yl)oxolan-3-one

C8H12O2S — CID 164646659

IUPAC5-(thiolan-3-yl)oxolan-3-one
SMILESO=C1COC(C2CCSC2)C1
InChIInChI=1S/C8H12O2S/c9-7-3-8(10-4-7)6-1-2-11-5-6/h6,8H,1-5H2
InChIKeyISWJBHHTKZUYNV-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.10
Rot. Bonds1

About 5-(thiolan-3-yl)oxolan-3-one

5-(thiolan-3-yl)oxolan-3-one (PubChem CID 164646659) has the molecular formula C8H12O2S and a molecular weight of 172.25 g/mol. Its IUPAC name is 5-(thiolan-3-yl)oxolan-3-one.

Molecular Properties

Compound Name5-(thiolan-3-yl)oxolan-3-one
PubChem CID164646659
Molecular FormulaC8H12O2S
Molecular Weight172.25 g/mol
Exact Mass172.06
IUPAC Name5-(thiolan-3-yl)oxolan-3-one
SMILESO=C1COC(C2CCSC2)C1
InChIInChI=1S/C8H12O2S/c9-7-3-8(10-4-7)6-1-2-11-5-6/h6,8H,1-5H2
InChIKeyISWJBHHTKZUYNV-UHFFFAOYSA-N
XLogP1.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-(Oxolan-2-yl)-1-(thiolan-3-yl)ethanone
CID 65155481
(2-Methyloxolan-3-yl)-(2-methylthiolan-2-yl)methanone
CID 81451224
1-(2-Methylthiolan-2-yl)-2-(oxolan-2-yl)ethanone
CID 81452155
(3-Methyloxolan-2-yl)-(thiolan-2-yl)methanone
CID 81575124
(3-Methyloxolan-2-yl)-(2-methylthiolan-2-yl)methanone
CID 81575496
4-[3-(Oxolan-2-yl)propyl]thiolan-3-one
CID 83195440
4-(Oxolan-3-ylmethyl)thiolan-3-one
CID 83195753
(2-Ethyloxolan-3-yl)-(2-methylthiolan-2-yl)methanone
CID 105738490
(5-Methyloxolan-2-yl)-(thiolan-3-yl)methanone
CID 114286960

Frequently Asked Questions

What is the IUPAC name of 5-(thiolan-3-yl)oxolan-3-one?
The IUPAC name of 5-(thiolan-3-yl)oxolan-3-one (CID 164646659) is 5-(thiolan-3-yl)oxolan-3-one.
What is the SMILES notation for 5-(thiolan-3-yl)oxolan-3-one?
The canonical SMILES for 5-(thiolan-3-yl)oxolan-3-one is O=C1COC(C2CCSC2)C1.
What is the InChIKey of 5-(thiolan-3-yl)oxolan-3-one?
The InChIKey is ISWJBHHTKZUYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2S/c9-7-3-8(10-4-7)6-1-2-11-5-6/h6,8H,1-5H2.
What are the key properties of 5-(thiolan-3-yl)oxolan-3-one?
5-(thiolan-3-yl)oxolan-3-one has a molecular weight of 172.25 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thiolan-3-yl)oxolan-3-one is sourced from PubChem (CID 164646659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).