propylsulfanylcyclohexane

C9H18S — CID 557549

IUPACpropylsulfanylcyclohexane
SMILESCCCSC1CCCCC1
InChIInChI=1S/C9H18S/c1-2-8-10-9-6-4-3-5-7-9/h9H,2-8H2,1H3
InChIKeyGRTPNKMNAOQMOK-UHFFFAOYSA-N
MW158.31 g/mol
LogP3.46
Rot. Bonds3

About propylsulfanylcyclohexane

propylsulfanylcyclohexane (PubChem CID 557549) has the molecular formula C9H18S and a molecular weight of 158.31 g/mol. Its IUPAC name is propylsulfanylcyclohexane.

Molecular Properties

Compound Namepropylsulfanylcyclohexane
PubChem CID557549
Molecular FormulaC9H18S
Molecular Weight158.31 g/mol
Exact Mass158.11
IUPAC Namepropylsulfanylcyclohexane
SMILESCCCSC1CCCCC1
InChIInChI=1S/C9H18S/c1-2-8-10-9-6-4-3-5-7-9/h9H,2-8H2,1H3
InChIKeyGRTPNKMNAOQMOK-UHFFFAOYSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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 propylsulfanylcyclohexane?
The IUPAC name of propylsulfanylcyclohexane (CID 557549) is propylsulfanylcyclohexane.
What is the SMILES notation for propylsulfanylcyclohexane?
The canonical SMILES for propylsulfanylcyclohexane is CCCSC1CCCCC1.
What is the InChIKey of propylsulfanylcyclohexane?
The InChIKey is GRTPNKMNAOQMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18S/c1-2-8-10-9-6-4-3-5-7-9/h9H,2-8H2,1H3.
What are the key properties of propylsulfanylcyclohexane?
propylsulfanylcyclohexane has a molecular weight of 158.31 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propylsulfanylcyclohexane is sourced from PubChem (CID 557549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).