2-(thiolan-2-yl)oxane

C9H16OS — CID 19768873

IUPAC2-(thiolan-2-yl)oxane
SMILESC1CCC(C2CCCS2)OC1
InChIInChI=1S/C9H16OS/c1-2-6-10-8(4-1)9-5-3-7-11-9/h8-9H,1-7H2
InChIKeyQYWSZBQJRJHBOW-UHFFFAOYSA-N
MW172.29 g/mol
LogP2.45
Rot. Bonds1

About 2-(thiolan-2-yl)oxane

2-(thiolan-2-yl)oxane (PubChem CID 19768873) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is 2-(thiolan-2-yl)oxane.

Molecular Properties

Compound Name2-(thiolan-2-yl)oxane
PubChem CID19768873
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name2-(thiolan-2-yl)oxane
SMILESC1CCC(C2CCCS2)OC1
InChIInChI=1S/C9H16OS/c1-2-6-10-8(4-1)9-5-3-7-11-9/h8-9H,1-7H2
InChIKeyQYWSZBQJRJHBOW-UHFFFAOYSA-N
XLogP2.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Oxa-4-thiaspiro(4.6)undecane
CID 9098
1-Oxa-7-thiaspiro[5.5]undecane
CID 12709269
1-Oxa-4-thiaspiro[4.11]hexadecane
CID 11345528
2-Methyl-2-octyl-1,3-oxathiane
CID 85699790
Oxa-14-thiacyclohexadecane
CID 164185884
2,5-Methano-2H-thiopyrano[3,2-b]furan, hexahydro-
CID 567511
(6S)-7-oxa-1-thiaspiro[5.5]undecane
CID 637994
2-Heptyl-1,3-oxathiolane
CID 11286935
2-Cyclohexyloxythiolane
CID 12445266
2-(4-Methylsulfanylbutyl)oxolane
CID 12961729
Bromo-ethyl-methyl-[5-(oxolan-2-yl)pentyl]-lambda4-sulfane
CID 13608277
Iodo-dimethyl-[5-(oxan-2-yl)pentyl]-lambda4-sulfane
CID 13608280

Frequently Asked Questions

What is the IUPAC name of 2-(thiolan-2-yl)oxane?
The IUPAC name of 2-(thiolan-2-yl)oxane (CID 19768873) is 2-(thiolan-2-yl)oxane.
What is the SMILES notation for 2-(thiolan-2-yl)oxane?
The canonical SMILES for 2-(thiolan-2-yl)oxane is C1CCC(C2CCCS2)OC1.
What is the InChIKey of 2-(thiolan-2-yl)oxane?
The InChIKey is QYWSZBQJRJHBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OS/c1-2-6-10-8(4-1)9-5-3-7-11-9/h8-9H,1-7H2.
What are the key properties of 2-(thiolan-2-yl)oxane?
2-(thiolan-2-yl)oxane has a molecular weight of 172.29 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiolan-2-yl)oxane is sourced from PubChem (CID 19768873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).