propan-2-ylsulfanylcyclohexane

C9H18S — CID 557550

IUPACpropan-2-ylsulfanylcyclohexane
SMILESCC(C)SC1CCCCC1
InChIInChI=1S/C9H18S/c1-8(2)10-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyYLWPZAXSAHLTQS-UHFFFAOYSA-N
MW158.31 g/mol
LogP3.46
Rot. Bonds2

About propan-2-ylsulfanylcyclohexane

propan-2-ylsulfanylcyclohexane (PubChem CID 557550) has the molecular formula C9H18S and a molecular weight of 158.31 g/mol. Its IUPAC name is propan-2-ylsulfanylcyclohexane.

Molecular Properties

Compound Namepropan-2-ylsulfanylcyclohexane
PubChem CID557550
Molecular FormulaC9H18S
Molecular Weight158.31 g/mol
Exact Mass158.11
IUPAC Namepropan-2-ylsulfanylcyclohexane
SMILESCC(C)SC1CCCCC1
InChIInChI=1S/C9H18S/c1-8(2)10-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyYLWPZAXSAHLTQS-UHFFFAOYSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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

Analyze propan-2-ylsulfanylcyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propan-2-ylsulfanylcyclohexane?
The IUPAC name of propan-2-ylsulfanylcyclohexane (CID 557550) is propan-2-ylsulfanylcyclohexane.
What is the SMILES notation for propan-2-ylsulfanylcyclohexane?
The canonical SMILES for propan-2-ylsulfanylcyclohexane is CC(C)SC1CCCCC1.
What is the InChIKey of propan-2-ylsulfanylcyclohexane?
The InChIKey is YLWPZAXSAHLTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18S/c1-8(2)10-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3.
What are the key properties of propan-2-ylsulfanylcyclohexane?
propan-2-ylsulfanylcyclohexane has a molecular weight of 158.31 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ylsulfanylcyclohexane is sourced from PubChem (CID 557550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).