6-butan-2-yl-3,4-dihydro-2H-thiopyran

C9H16S — CID 14900893

IUPAC6-butan-2-yl-3,4-dihydro-2H-thiopyran
SMILESCCC(C)C1=CCCCS1
InChIInChI=1S/C9H16S/c1-3-8(2)9-6-4-5-7-10-9/h6,8H,3-5,7H2,1-2H3
InChIKeyHWIBAFZRKLITPT-UHFFFAOYSA-N
MW156.29 g/mol
LogP3.44
Rot. Bonds2

About 6-butan-2-yl-3,4-dihydro-2H-thiopyran

6-butan-2-yl-3,4-dihydro-2H-thiopyran (PubChem CID 14900893) has the molecular formula C9H16S and a molecular weight of 156.29 g/mol. Its IUPAC name is 6-butan-2-yl-3,4-dihydro-2H-thiopyran.

Molecular Properties

Compound Name6-butan-2-yl-3,4-dihydro-2H-thiopyran
PubChem CID14900893
Molecular FormulaC9H16S
Molecular Weight156.29 g/mol
Exact Mass156.10
IUPAC Name6-butan-2-yl-3,4-dihydro-2H-thiopyran
SMILESCCC(C)C1=CCCCS1
InChIInChI=1S/C9H16S/c1-3-8(2)9-6-4-5-7-10-9/h6,8H,3-5,7H2,1-2H3
InChIKeyHWIBAFZRKLITPT-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-3,4-dihydro-2H-thiopyran?
The IUPAC name of 6-butan-2-yl-3,4-dihydro-2H-thiopyran (CID 14900893) is 6-butan-2-yl-3,4-dihydro-2H-thiopyran.
What is the SMILES notation for 6-butan-2-yl-3,4-dihydro-2H-thiopyran?
The canonical SMILES for 6-butan-2-yl-3,4-dihydro-2H-thiopyran is CCC(C)C1=CCCCS1.
What is the InChIKey of 6-butan-2-yl-3,4-dihydro-2H-thiopyran?
The InChIKey is HWIBAFZRKLITPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16S/c1-3-8(2)9-6-4-5-7-10-9/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 6-butan-2-yl-3,4-dihydro-2H-thiopyran?
6-butan-2-yl-3,4-dihydro-2H-thiopyran has a molecular weight of 156.29 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-3,4-dihydro-2H-thiopyran is sourced from PubChem (CID 14900893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).