oxane;2H-thiopyran

C10H16OS — CID 158715794

IUPACoxane;2H-thiopyran
SMILESC1=CCSC=C1.C1CCOCC1
InChIInChI=1S/C5H10O.C5H6S/c2*1-2-4-6-5-3-1/h1-5H2;1-4H,5H2
InChIKeyIJHHQVZXMFDROK-UHFFFAOYSA-N
MW184.30 g/mol
LogP2.99
Rot. Bonds

About oxane;2H-thiopyran

oxane;2H-thiopyran (PubChem CID 158715794) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is oxane;2H-thiopyran.

Molecular Properties

Compound Nameoxane;2H-thiopyran
PubChem CID158715794
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Nameoxane;2H-thiopyran
SMILESC1=CCSC=C1.C1CCOCC1
InChIInChI=1S/C5H10O.C5H6S/c2*1-2-4-6-5-3-1/h1-5H2;1-4H,5H2
InChIKeyIJHHQVZXMFDROK-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of oxane;2H-thiopyran?
The IUPAC name of oxane;2H-thiopyran (CID 158715794) is oxane;2H-thiopyran.
What is the SMILES notation for oxane;2H-thiopyran?
The canonical SMILES for oxane;2H-thiopyran is C1=CCSC=C1.C1CCOCC1.
What is the InChIKey of oxane;2H-thiopyran?
The InChIKey is IJHHQVZXMFDROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.C5H6S/c2*1-2-4-6-5-3-1/h1-5H2;1-4H,5H2.
What are the key properties of oxane;2H-thiopyran?
oxane;2H-thiopyran has a molecular weight of 184.30 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxane;2H-thiopyran is sourced from PubChem (CID 158715794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).