3-methyl-4-propan-2-ylthiolane

C8H16S — CID 59596318

IUPAC3-methyl-4-propan-2-ylthiolane
SMILESCC(C)C1CSCC1C
InChIInChI=1S/C8H16S/c1-6(2)8-5-9-4-7(8)3/h6-8H,4-5H2,1-3H3
InChIKeySJFRKRCHCWLNGT-UHFFFAOYSA-N
MW144.28 g/mol
LogP2.64
Rot. Bonds1

About 3-methyl-4-propan-2-ylthiolane

3-methyl-4-propan-2-ylthiolane (PubChem CID 59596318) has the molecular formula C8H16S and a molecular weight of 144.28 g/mol. Its IUPAC name is 3-methyl-4-propan-2-ylthiolane.

Molecular Properties

Compound Name3-methyl-4-propan-2-ylthiolane
PubChem CID59596318
Molecular FormulaC8H16S
Molecular Weight144.28 g/mol
Exact Mass144.10
IUPAC Name3-methyl-4-propan-2-ylthiolane
SMILESCC(C)C1CSCC1C
InChIInChI=1S/C8H16S/c1-6(2)8-5-9-4-7(8)3/h6-8H,4-5H2,1-3H3
InChIKeySJFRKRCHCWLNGT-UHFFFAOYSA-N
XLogP2.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.28
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

azane;1-methyl-2-propan-2-ylcyclopropane
CID 21258764
ethane;1-methyl-2-propan-2-ylcyclopropane
CID 143332059
(2R)-2-methyl-3-propan-2-ylthietane
CID 118612980
(1R)-1-methyl-2-propan-2-ylcyclobutane
CID 158704963
(3S,4R)-4-methylthiolan-3-ol
CID 10374449
cis-(1S,2R)-1,2-dimethylcyclopropane;ethane;methane;trans-(1S,2R)-1-methyl-2-propan-2-ylcyclopropane
CID 158862378
(3S,4R)-4-methylthiolan-3-amine
CID 55284315
cis-(2R,5R)-2-methyl-5-propan-2-ylcyclohexane-1,4-diol
CID 157009951
(1S)-2-methyl-5-propan-2-ylcyclohexane-1,4-diol
CID 91437445
cis-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane
CID 59954464
1,2-dimethyl-3-propan-2-ylcyclopentane
CID 544190
1,4-dimethyl-2-propan-2-ylcyclopentane
CID 91513076

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-propan-2-ylthiolane?
The IUPAC name of 3-methyl-4-propan-2-ylthiolane (CID 59596318) is 3-methyl-4-propan-2-ylthiolane.
What is the SMILES notation for 3-methyl-4-propan-2-ylthiolane?
The canonical SMILES for 3-methyl-4-propan-2-ylthiolane is CC(C)C1CSCC1C.
What is the InChIKey of 3-methyl-4-propan-2-ylthiolane?
The InChIKey is SJFRKRCHCWLNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S/c1-6(2)8-5-9-4-7(8)3/h6-8H,4-5H2,1-3H3.
What are the key properties of 3-methyl-4-propan-2-ylthiolane?
3-methyl-4-propan-2-ylthiolane has a molecular weight of 144.28 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-propan-2-ylthiolane is sourced from PubChem (CID 59596318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).