2-(thiolan-3-yl)-2H-pyran

C9H12OS — CID 173259780

IUPAC2-(thiolan-3-yl)-2H-pyran
SMILESC1=COC(C2CCSC2)C=C1
InChIInChI=1S/C9H12OS/c1-2-5-10-9(3-1)8-4-6-11-7-8/h1-3,5,8-9H,4,6-7H2
InChIKeyNQCIPAMFXIIBAU-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.21
Rot. Bonds1

About 2-(thiolan-3-yl)-2H-pyran

2-(thiolan-3-yl)-2H-pyran (PubChem CID 173259780) has the molecular formula C9H12OS and a molecular weight of 168.26 g/mol. Its IUPAC name is 2-(thiolan-3-yl)-2H-pyran.

Molecular Properties

Compound Name2-(thiolan-3-yl)-2H-pyran
PubChem CID173259780
Molecular FormulaC9H12OS
Molecular Weight168.26 g/mol
Exact Mass168.06
IUPAC Name2-(thiolan-3-yl)-2H-pyran
SMILESC1=COC(C2CCSC2)C=C1
InChIInChI=1S/C9H12OS/c1-2-5-10-9(3-1)8-4-6-11-7-8/h1-3,5,8-9H,4,6-7H2
InChIKeyNQCIPAMFXIIBAU-UHFFFAOYSA-N
XLogP2.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(thiolan-3-yl)-2H-pyran?
The IUPAC name of 2-(thiolan-3-yl)-2H-pyran (CID 173259780) is 2-(thiolan-3-yl)-2H-pyran.
What is the SMILES notation for 2-(thiolan-3-yl)-2H-pyran?
The canonical SMILES for 2-(thiolan-3-yl)-2H-pyran is C1=COC(C2CCSC2)C=C1.
What is the InChIKey of 2-(thiolan-3-yl)-2H-pyran?
The InChIKey is NQCIPAMFXIIBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12OS/c1-2-5-10-9(3-1)8-4-6-11-7-8/h1-3,5,8-9H,4,6-7H2.
What are the key properties of 2-(thiolan-3-yl)-2H-pyran?
2-(thiolan-3-yl)-2H-pyran has a molecular weight of 168.26 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiolan-3-yl)-2H-pyran is sourced from PubChem (CID 173259780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).