2-(propan-2-ylsulfanylmethyl)oxolane

C8H16OS — CID 127000130

IUPAC2-(propan-2-ylsulfanylmethyl)oxolane
SMILESCC(C)SCC1CCCO1
InChIInChI=1S/C8H16OS/c1-7(2)10-6-8-4-3-5-9-8/h7-8H,3-6H2,1-2H3
InChIKeyJXSFHUJUMNIRNY-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.31
Rot. Bonds3

About 2-(propan-2-ylsulfanylmethyl)oxolane

2-(propan-2-ylsulfanylmethyl)oxolane (PubChem CID 127000130) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 2-(propan-2-ylsulfanylmethyl)oxolane.

Molecular Properties

Compound Name2-(propan-2-ylsulfanylmethyl)oxolane
PubChem CID127000130
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name2-(propan-2-ylsulfanylmethyl)oxolane
SMILESCC(C)SCC1CCCO1
InChIInChI=1S/C8H16OS/c1-7(2)10-6-8-4-3-5-9-8/h7-8H,3-6H2,1-2H3
InChIKeyJXSFHUJUMNIRNY-UHFFFAOYSA-N
XLogP2.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-3-thioacetoxytetrahydrofuran
CID 129968705
1,3-Oxathiane, 2,2,4,6-tetramethyl-, cis-
CID 141906
2-Ethyl-3-(methylsulfanyl)oxolane
CID 15720837
1,3-Oxathiolane, 2-pentyl-
CID 11147880
2-[(Methylsulfanyl)methyl]tetrahydrofuran
CID 11789247
5-Propyl-1,3-oxathiolane
CID 21540543
Tetrahydrofurfurylsulfide
CID 129750352
anti-2-cis-4,5-Trimethyl-1,3-oxathiolane
CID 144004
(2R,3S,4S)-3-butoxy-2-(butoxymethyl)-4-fluorothiolane
CID 118147394
(2R,3S,4S)-3-butoxy-2-(butoxymethyl)-4-fluoro-5-methylthiolane
CID 118516563
S-(2,5-dimethyloxolan-3-yl) ethanethioate
CID 124155846
2,2,4,5-Tetramethyl-1,3-oxathiolane
CID 21719870

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylsulfanylmethyl)oxolane?
The IUPAC name of 2-(propan-2-ylsulfanylmethyl)oxolane (CID 127000130) is 2-(propan-2-ylsulfanylmethyl)oxolane.
What is the SMILES notation for 2-(propan-2-ylsulfanylmethyl)oxolane?
The canonical SMILES for 2-(propan-2-ylsulfanylmethyl)oxolane is CC(C)SCC1CCCO1.
What is the InChIKey of 2-(propan-2-ylsulfanylmethyl)oxolane?
The InChIKey is JXSFHUJUMNIRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-7(2)10-6-8-4-3-5-9-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-(propan-2-ylsulfanylmethyl)oxolane?
2-(propan-2-ylsulfanylmethyl)oxolane has a molecular weight of 160.28 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylsulfanylmethyl)oxolane is sourced from PubChem (CID 127000130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).