tert-butylsulfanylcyclopentane

C9H18S — CID 545340

IUPACtert-butylsulfanylcyclopentane
SMILESCC(C)(C)SC1CCCC1
InChIInChI=1S/C9H18S/c1-9(2,3)10-8-6-4-5-7-8/h8H,4-7H2,1-3H3
InChIKeyXANCFLPEAYDOEW-UHFFFAOYSA-N
MW158.31 g/mol
LogP3.46
Rot. Bonds1

About tert-butylsulfanylcyclopentane

tert-butylsulfanylcyclopentane (PubChem CID 545340) has the molecular formula C9H18S and a molecular weight of 158.31 g/mol. Its IUPAC name is tert-butylsulfanylcyclopentane.

Molecular Properties

Compound Nametert-butylsulfanylcyclopentane
PubChem CID545340
Molecular FormulaC9H18S
Molecular Weight158.31 g/mol
Exact Mass158.11
IUPAC Nametert-butylsulfanylcyclopentane
SMILESCC(C)(C)SC1CCCC1
InChIInChI=1S/C9H18S/c1-9(2,3)10-8-6-4-5-7-8/h8H,4-7H2,1-3H3
InChIKeyXANCFLPEAYDOEW-UHFFFAOYSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.31
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tert-butylsulfanylcyclopentane?
The IUPAC name of tert-butylsulfanylcyclopentane (CID 545340) is tert-butylsulfanylcyclopentane.
What is the SMILES notation for tert-butylsulfanylcyclopentane?
The canonical SMILES for tert-butylsulfanylcyclopentane is CC(C)(C)SC1CCCC1.
What is the InChIKey of tert-butylsulfanylcyclopentane?
The InChIKey is XANCFLPEAYDOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18S/c1-9(2,3)10-8-6-4-5-7-8/h8H,4-7H2,1-3H3.
What are the key properties of tert-butylsulfanylcyclopentane?
tert-butylsulfanylcyclopentane has a molecular weight of 158.31 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylsulfanylcyclopentane is sourced from PubChem (CID 545340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).