3-(4-propan-2-ylphenyl)thiolane

C13H18S — CID 168806701

IUPAC3-(4-propan-2-ylphenyl)thiolane
SMILESCC(C)c1ccc(C2CCSC2)cc1
InChIInChI=1S/C13H18S/c1-10(2)11-3-5-12(6-4-11)13-7-8-14-9-13/h3-6,10,13H,7-9H2,1-2H3
InChIKeyKSZNVXHSGQNTOS-UHFFFAOYSA-N
MW206.35 g/mol
LogP4.03
Rot. Bonds2

About 3-(4-propan-2-ylphenyl)thiolane

3-(4-propan-2-ylphenyl)thiolane (PubChem CID 168806701) has the molecular formula C13H18S and a molecular weight of 206.35 g/mol. Its IUPAC name is 3-(4-propan-2-ylphenyl)thiolane.

Molecular Properties

Compound Name3-(4-propan-2-ylphenyl)thiolane
PubChem CID168806701
Molecular FormulaC13H18S
Molecular Weight206.35 g/mol
Exact Mass206.11
IUPAC Name3-(4-propan-2-ylphenyl)thiolane
SMILESCC(C)c1ccc(C2CCSC2)cc1
InChIInChI=1S/C13H18S/c1-10(2)11-3-5-12(6-4-11)13-7-8-14-9-13/h3-6,10,13H,7-9H2,1-2H3
InChIKeyKSZNVXHSGQNTOS-UHFFFAOYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-propan-2-ylphenyl)-1,4-thiazepane
CID 66218524
2-[4-(thiolan-3-yl)phenyl]ethanamine
CID 84779900
1-propan-2-yl-4-[4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexyl]benzene
CID 159561903
1-(3-bromocyclopentyl)-4-propan-2-ylbenzene
CID 64507146
1-tert-butyl-4-[3-(4-propan-2-ylphenyl)cyclopentyl]benzene
CID 58371806
3-(4-propan-2-ylphenyl)piperidine
CID 58015975
3-(4-propan-2-ylphenyl)cyclopentan-1-one
CID 64519954
1-[(1S)-3,3-difluorocyclopentyl]-4-propan-2-ylbenzene
CID 59166669
1-methyl-3-(4-propan-2-ylphenyl)pyrrolidine
CID 118284741
1-bromo-3-(4-propan-2-ylphenyl)cycloheptane
CID 64506515
N-[(4-propan-2-ylphenyl)methyl]-1-(thian-4-yl)methanamine
CID 113235575
[2-(4-propan-2-ylphenyl)-1-(thiolan-3-yl)ethyl]hydrazine
CID 105297335

Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylphenyl)thiolane?
The IUPAC name of 3-(4-propan-2-ylphenyl)thiolane (CID 168806701) is 3-(4-propan-2-ylphenyl)thiolane.
What is the SMILES notation for 3-(4-propan-2-ylphenyl)thiolane?
The canonical SMILES for 3-(4-propan-2-ylphenyl)thiolane is CC(C)c1ccc(C2CCSC2)cc1.
What is the InChIKey of 3-(4-propan-2-ylphenyl)thiolane?
The InChIKey is KSZNVXHSGQNTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18S/c1-10(2)11-3-5-12(6-4-11)13-7-8-14-9-13/h3-6,10,13H,7-9H2,1-2H3.
What are the key properties of 3-(4-propan-2-ylphenyl)thiolane?
3-(4-propan-2-ylphenyl)thiolane has a molecular weight of 206.35 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylphenyl)thiolane is sourced from PubChem (CID 168806701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).