(1R,3R)-3-butylthiolane 1-oxide

C8H16OS — CID 57484456

IUPAC(1R,3R)-3-butylthiolane 1-oxide
SMILESCCCC[C@@H]1CC[S@@](=O)C1
InChIInChI=1S/C8H16OS/c1-2-3-4-8-5-6-10(9)7-8/h8H,2-7H2,1H3/t8-,10-/m1/s1
InChIKeyQVVQIIIFHZDBDL-PSASIEDQSA-N
MW160.28 g/mol
LogP1.95
Rot. Bonds3

About (1R,3R)-3-butylthiolane 1-oxide

(1R,3R)-3-butylthiolane 1-oxide (PubChem CID 57484456) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is (1R,3R)-3-butylthiolane 1-oxide.

Molecular Properties

Compound Name(1R,3R)-3-butylthiolane 1-oxide
PubChem CID57484456
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name(1R,3R)-3-butylthiolane 1-oxide
SMILESCCCC[C@@H]1CC[S@@](=O)C1
InChIInChI=1S/C8H16OS/c1-2-3-4-8-5-6-10(9)7-8/h8H,2-7H2,1H3/t8-,10-/m1/s1
InChIKeyQVVQIIIFHZDBDL-PSASIEDQSA-N
XLogP1.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-octylthiane 1-oxide
CID 3049462
3-(1-oxothiolan-3-yl)propan-1-ol
CID 69453442
(2R)-2-butylthiirane 1-oxide
CID 15198464
hexane;pentylcyclopropane
CID 159592467
1-butyl-4-ethylcyclohexane;methane
CID 145295190
1-butyl-4-(2-cyclopentylethyl)cyclohexane
CID 157379859
(6R,8aR)-2-butyl-6-heptyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 54310090
1,4-dihexylcyclohexane
CID 22947938
1-butyl-3,5-dipropylcyclohexane
CID 145132341
octadecane;pentadecylcyclopropane
CID 173301851
(1S,3R)-1-oxothiolan-3-amine
CID 95566573
1-dodecyl-4-pentadecylcyclohexane
CID 123560684

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-3-butylthiolane 1-oxide?
The IUPAC name of (1R,3R)-3-butylthiolane 1-oxide (CID 57484456) is (1R,3R)-3-butylthiolane 1-oxide.
What is the SMILES notation for (1R,3R)-3-butylthiolane 1-oxide?
The canonical SMILES for (1R,3R)-3-butylthiolane 1-oxide is CCCC[C@@H]1CC[S@@](=O)C1.
What is the InChIKey of (1R,3R)-3-butylthiolane 1-oxide?
The InChIKey is QVVQIIIFHZDBDL-PSASIEDQSA-N. The full InChI is InChI=1S/C8H16OS/c1-2-3-4-8-5-6-10(9)7-8/h8H,2-7H2,1H3/t8-,10-/m1/s1.
What are the key properties of (1R,3R)-3-butylthiolane 1-oxide?
(1R,3R)-3-butylthiolane 1-oxide has a molecular weight of 160.28 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-3-butylthiolane 1-oxide is sourced from PubChem (CID 57484456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).