3-cyclohexyl-2H-thiopyran

C11H16S — CID 70400761

IUPAC3-cyclohexyl-2H-thiopyran
SMILESC1=CSCC(C2CCCCC2)=C1
InChIInChI=1S/C11H16S/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h4,7-8,10H,1-3,5-6,9H2
InChIKeyGZVXDJJLADOPTQ-UHFFFAOYSA-N
MW180.32 g/mol
LogP3.75
Rot. Bonds1

About 3-cyclohexyl-2H-thiopyran

3-cyclohexyl-2H-thiopyran (PubChem CID 70400761) has the molecular formula C11H16S and a molecular weight of 180.32 g/mol. Its IUPAC name is 3-cyclohexyl-2H-thiopyran.

Molecular Properties

Compound Name3-cyclohexyl-2H-thiopyran
PubChem CID70400761
Molecular FormulaC11H16S
Molecular Weight180.32 g/mol
Exact Mass180.10
IUPAC Name3-cyclohexyl-2H-thiopyran
SMILESC1=CSCC(C2CCCCC2)=C1
InChIInChI=1S/C11H16S/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h4,7-8,10H,1-3,5-6,9H2
InChIKeyGZVXDJJLADOPTQ-UHFFFAOYSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.32
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2H-thiopyran?
The IUPAC name of 3-cyclohexyl-2H-thiopyran (CID 70400761) is 3-cyclohexyl-2H-thiopyran.
What is the SMILES notation for 3-cyclohexyl-2H-thiopyran?
The canonical SMILES for 3-cyclohexyl-2H-thiopyran is C1=CSCC(C2CCCCC2)=C1.
What is the InChIKey of 3-cyclohexyl-2H-thiopyran?
The InChIKey is GZVXDJJLADOPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16S/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h4,7-8,10H,1-3,5-6,9H2.
What are the key properties of 3-cyclohexyl-2H-thiopyran?
3-cyclohexyl-2H-thiopyran has a molecular weight of 180.32 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2H-thiopyran is sourced from PubChem (CID 70400761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).