2-pentyl-2H-thiopyran

C10H16S — CID 526620

IUPAC2-pentyl-2H-thiopyran
SMILESCCCCCC1C=CC=CS1
InChIInChI=1S/C10H16S/c1-2-3-4-7-10-8-5-6-9-11-10/h5-6,8-10H,2-4,7H2,1H3
InChIKeyWIWJPSVDDXGSQF-UHFFFAOYSA-N
MW168.31 g/mol
LogP3.75
Rot. Bonds4

About 2-pentyl-2H-thiopyran

2-pentyl-2H-thiopyran (PubChem CID 526620) has the molecular formula C10H16S and a molecular weight of 168.31 g/mol. Its IUPAC name is 2-pentyl-2H-thiopyran.

Molecular Properties

Compound Name2-pentyl-2H-thiopyran
PubChem CID526620
Molecular FormulaC10H16S
Molecular Weight168.31 g/mol
Exact Mass168.10
IUPAC Name2-pentyl-2H-thiopyran
SMILESCCCCCC1C=CC=CS1
InChIInChI=1S/C10H16S/c1-2-3-4-7-10-8-5-6-9-11-10/h5-6,8-10H,2-4,7H2,1H3
InChIKeyWIWJPSVDDXGSQF-UHFFFAOYSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.31
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-pentyl-2H-thiopyran?
The IUPAC name of 2-pentyl-2H-thiopyran (CID 526620) is 2-pentyl-2H-thiopyran.
What is the SMILES notation for 2-pentyl-2H-thiopyran?
The canonical SMILES for 2-pentyl-2H-thiopyran is CCCCCC1C=CC=CS1.
What is the InChIKey of 2-pentyl-2H-thiopyran?
The InChIKey is WIWJPSVDDXGSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S/c1-2-3-4-7-10-8-5-6-9-11-10/h5-6,8-10H,2-4,7H2,1H3.
What are the key properties of 2-pentyl-2H-thiopyran?
2-pentyl-2H-thiopyran has a molecular weight of 168.31 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-2H-thiopyran is sourced from PubChem (CID 526620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).