4-methyl-3,6-dihydro-2H-thiopyran 1-oxide

C6H10OS — CID 20813962

IUPAC4-methyl-3,6-dihydro-2H-thiopyran 1-oxide
SMILESCC1=CCS(=O)CC1
InChIInChI=1S/C6H10OS/c1-6-2-4-8(7)5-3-6/h2H,3-5H2,1H3
InChIKeySWFWYQCOZRRRQF-UHFFFAOYSA-N
MW130.21 g/mol
LogP1.09
Rot. Bonds

About 4-methyl-3,6-dihydro-2H-thiopyran 1-oxide

4-methyl-3,6-dihydro-2H-thiopyran 1-oxide (PubChem CID 20813962) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 4-methyl-3,6-dihydro-2H-thiopyran 1-oxide.

Molecular Properties

Compound Name4-methyl-3,6-dihydro-2H-thiopyran 1-oxide
PubChem CID20813962
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name4-methyl-3,6-dihydro-2H-thiopyran 1-oxide
SMILESCC1=CCS(=O)CC1
InChIInChI=1S/C6H10OS/c1-6-2-4-8(7)5-3-6/h2H,3-5H2,1H3
InChIKeySWFWYQCOZRRRQF-UHFFFAOYSA-N
XLogP1.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.09
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 4-methyl-3,6-dihydro-2H-thiopyran 1-oxide?
The IUPAC name of 4-methyl-3,6-dihydro-2H-thiopyran 1-oxide (CID 20813962) is 4-methyl-3,6-dihydro-2H-thiopyran 1-oxide.
What is the SMILES notation for 4-methyl-3,6-dihydro-2H-thiopyran 1-oxide?
The canonical SMILES for 4-methyl-3,6-dihydro-2H-thiopyran 1-oxide is CC1=CCS(=O)CC1.
What is the InChIKey of 4-methyl-3,6-dihydro-2H-thiopyran 1-oxide?
The InChIKey is SWFWYQCOZRRRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-6-2-4-8(7)5-3-6/h2H,3-5H2,1H3.
What are the key properties of 4-methyl-3,6-dihydro-2H-thiopyran 1-oxide?
4-methyl-3,6-dihydro-2H-thiopyran 1-oxide has a molecular weight of 130.21 g/mol, XLogP of 1.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,6-dihydro-2H-thiopyran 1-oxide is sourced from PubChem (CID 20813962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).