3,6-dihydro-2H-thiopyran;ethane

C7H14S — CID 142173989

IUPAC3,6-dihydro-2H-thiopyran;ethane
SMILESC1=CCSCC1.CC
InChIInChI=1S/C5H8S.C2H6/c1-2-4-6-5-3-1;1-2/h1-2H,3-5H2;1-2H3
InChIKeyBKGDTENZSDZDOV-UHFFFAOYSA-N
MW130.26 g/mol
LogP2.71
Rot. Bonds

About 3,6-dihydro-2H-thiopyran;ethane

3,6-dihydro-2H-thiopyran;ethane (PubChem CID 142173989) has the molecular formula C7H14S and a molecular weight of 130.26 g/mol. Its IUPAC name is 3,6-dihydro-2H-thiopyran;ethane.

Molecular Properties

Compound Name3,6-dihydro-2H-thiopyran;ethane
PubChem CID142173989
Molecular FormulaC7H14S
Molecular Weight130.26 g/mol
Exact Mass130.08
IUPAC Name3,6-dihydro-2H-thiopyran;ethane
SMILESC1=CCSCC1.CC
InChIInChI=1S/C5H8S.C2H6/c1-2-4-6-5-3-1;1-2/h1-2H,3-5H2;1-2H3
InChIKeyBKGDTENZSDZDOV-UHFFFAOYSA-N
XLogP2.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.26
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-thiopyran;ethane?
The IUPAC name of 3,6-dihydro-2H-thiopyran;ethane (CID 142173989) is 3,6-dihydro-2H-thiopyran;ethane.
What is the SMILES notation for 3,6-dihydro-2H-thiopyran;ethane?
The canonical SMILES for 3,6-dihydro-2H-thiopyran;ethane is C1=CCSCC1.CC.
What is the InChIKey of 3,6-dihydro-2H-thiopyran;ethane?
The InChIKey is BKGDTENZSDZDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8S.C2H6/c1-2-4-6-5-3-1;1-2/h1-2H,3-5H2;1-2H3.
What are the key properties of 3,6-dihydro-2H-thiopyran;ethane?
3,6-dihydro-2H-thiopyran;ethane has a molecular weight of 130.26 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-thiopyran;ethane is sourced from PubChem (CID 142173989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).