6-propyl-2,3-dihydrothiopyran

C8H12S — CID 148845343

IUPAC6-propyl-2,3-dihydrothiopyran
SMILESCCCC1=C=CCCS1
InChIInChI=1S/C8H12S/c1-2-5-8-6-3-4-7-9-8/h3H,2,4-5,7H2,1H3
InChIKeyOWISWKXTIZRJOZ-UHFFFAOYSA-N
MW140.25 g/mol
LogP2.96
Rot. Bonds2

About 6-propyl-2,3-dihydrothiopyran

6-propyl-2,3-dihydrothiopyran (PubChem CID 148845343) has the molecular formula C8H12S and a molecular weight of 140.25 g/mol. Its IUPAC name is 6-propyl-2,3-dihydrothiopyran.

Molecular Properties

Compound Name6-propyl-2,3-dihydrothiopyran
PubChem CID148845343
Molecular FormulaC8H12S
Molecular Weight140.25 g/mol
Exact Mass140.07
IUPAC Name6-propyl-2,3-dihydrothiopyran
SMILESCCCC1=C=CCCS1
InChIInChI=1S/C8H12S/c1-2-5-8-6-3-4-7-9-8/h3H,2,4-5,7H2,1H3
InChIKeyOWISWKXTIZRJOZ-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-propyl-2,3-dihydrothiopyran?
The IUPAC name of 6-propyl-2,3-dihydrothiopyran (CID 148845343) is 6-propyl-2,3-dihydrothiopyran.
What is the SMILES notation for 6-propyl-2,3-dihydrothiopyran?
The canonical SMILES for 6-propyl-2,3-dihydrothiopyran is CCCC1=C=CCCS1.
What is the InChIKey of 6-propyl-2,3-dihydrothiopyran?
The InChIKey is OWISWKXTIZRJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S/c1-2-5-8-6-3-4-7-9-8/h3H,2,4-5,7H2,1H3.
What are the key properties of 6-propyl-2,3-dihydrothiopyran?
6-propyl-2,3-dihydrothiopyran has a molecular weight of 140.25 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-2,3-dihydrothiopyran is sourced from PubChem (CID 148845343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).