2-propyl-2H-thiopyran

C8H12S — CID 527055

IUPAC2-propyl-2H-thiopyran
SMILESCCCC1C=CC=CS1
InChIInChI=1S/C8H12S/c1-2-5-8-6-3-4-7-9-8/h3-4,6-8H,2,5H2,1H3
InChIKeyDYBCSWILIAFIDP-UHFFFAOYSA-N
MW140.25 g/mol
LogP2.97
Rot. Bonds2

About 2-propyl-2H-thiopyran

2-propyl-2H-thiopyran (PubChem CID 527055) has the molecular formula C8H12S and a molecular weight of 140.25 g/mol. Its IUPAC name is 2-propyl-2H-thiopyran.

Molecular Properties

Compound Name2-propyl-2H-thiopyran
PubChem CID527055
Molecular FormulaC8H12S
Molecular Weight140.25 g/mol
Exact Mass140.07
IUPAC Name2-propyl-2H-thiopyran
SMILESCCCC1C=CC=CS1
InChIInChI=1S/C8H12S/c1-2-5-8-6-3-4-7-9-8/h3-4,6-8H,2,5H2,1H3
InChIKeyDYBCSWILIAFIDP-UHFFFAOYSA-N
XLogP2.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-2H-thiopyran?
The IUPAC name of 2-propyl-2H-thiopyran (CID 527055) is 2-propyl-2H-thiopyran.
What is the SMILES notation for 2-propyl-2H-thiopyran?
The canonical SMILES for 2-propyl-2H-thiopyran is CCCC1C=CC=CS1.
What is the InChIKey of 2-propyl-2H-thiopyran?
The InChIKey is DYBCSWILIAFIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S/c1-2-5-8-6-3-4-7-9-8/h3-4,6-8H,2,5H2,1H3.
What are the key properties of 2-propyl-2H-thiopyran?
2-propyl-2H-thiopyran has a molecular weight of 140.25 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-2H-thiopyran is sourced from PubChem (CID 527055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).