6-phenylsulfanyl-3,4-dihydro-2H-pyran

C11H12OS — CID 11446848

IUPAC6-phenylsulfanyl-3,4-dihydro-2H-pyran
SMILESC1=C(Sc2ccccc2)OCCC1
InChIInChI=1S/C11H12OS/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11/h1-3,6-8H,4-5,9H2
InChIKeyKQNKZCLHOHJSEJ-UHFFFAOYSA-N
MW192.28 g/mol
LogP3.43
Rot. Bonds2

About 6-phenylsulfanyl-3,4-dihydro-2H-pyran

6-phenylsulfanyl-3,4-dihydro-2H-pyran (PubChem CID 11446848) has the molecular formula C11H12OS and a molecular weight of 192.28 g/mol. Its IUPAC name is 6-phenylsulfanyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-phenylsulfanyl-3,4-dihydro-2H-pyran
PubChem CID11446848
Molecular FormulaC11H12OS
Molecular Weight192.28 g/mol
Exact Mass192.06
IUPAC Name6-phenylsulfanyl-3,4-dihydro-2H-pyran
SMILESC1=C(Sc2ccccc2)OCCC1
InChIInChI=1S/C11H12OS/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11/h1-3,6-8H,4-5,9H2
InChIKeyKQNKZCLHOHJSEJ-UHFFFAOYSA-N
XLogP3.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-phenylsulfanyl-3,4-dihydro-2H-pyran?
The IUPAC name of 6-phenylsulfanyl-3,4-dihydro-2H-pyran (CID 11446848) is 6-phenylsulfanyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-phenylsulfanyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-phenylsulfanyl-3,4-dihydro-2H-pyran is C1=C(Sc2ccccc2)OCCC1.
What is the InChIKey of 6-phenylsulfanyl-3,4-dihydro-2H-pyran?
The InChIKey is KQNKZCLHOHJSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12OS/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11/h1-3,6-8H,4-5,9H2.
What are the key properties of 6-phenylsulfanyl-3,4-dihydro-2H-pyran?
6-phenylsulfanyl-3,4-dihydro-2H-pyran has a molecular weight of 192.28 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylsulfanyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 11446848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).