5-methyl-3,6-dihydro-2H-thiopyran

C6H10S — CID 640542

IUPAC5-methyl-3,6-dihydro-2H-thiopyran
SMILESCC1=CCCSC1
InChIInChI=1S/C6H10S/c1-6-3-2-4-7-5-6/h3H,2,4-5H2,1H3
InChIKeyWFOKIOXJTPHIGU-UHFFFAOYSA-N
MW114.21 g/mol
LogP2.07
Rot. Bonds

About 5-methyl-3,6-dihydro-2H-thiopyran

5-methyl-3,6-dihydro-2H-thiopyran (PubChem CID 640542) has the molecular formula C6H10S and a molecular weight of 114.21 g/mol. Its IUPAC name is 5-methyl-3,6-dihydro-2H-thiopyran.

Molecular Properties

Compound Name5-methyl-3,6-dihydro-2H-thiopyran
PubChem CID640542
Molecular FormulaC6H10S
Molecular Weight114.21 g/mol
Exact Mass114.05
IUPAC Name5-methyl-3,6-dihydro-2H-thiopyran
SMILESCC1=CCCSC1
InChIInChI=1S/C6H10S/c1-6-3-2-4-7-5-6/h3H,2,4-5H2,1H3
InChIKeyWFOKIOXJTPHIGU-UHFFFAOYSA-N
XLogP2.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.21
LogP ≤ 52.07
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 5-methyl-3,6-dihydro-2H-thiopyran?
The IUPAC name of 5-methyl-3,6-dihydro-2H-thiopyran (CID 640542) is 5-methyl-3,6-dihydro-2H-thiopyran.
What is the SMILES notation for 5-methyl-3,6-dihydro-2H-thiopyran?
The canonical SMILES for 5-methyl-3,6-dihydro-2H-thiopyran is CC1=CCCSC1.
What is the InChIKey of 5-methyl-3,6-dihydro-2H-thiopyran?
The InChIKey is WFOKIOXJTPHIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10S/c1-6-3-2-4-7-5-6/h3H,2,4-5H2,1H3.
What are the key properties of 5-methyl-3,6-dihydro-2H-thiopyran?
5-methyl-3,6-dihydro-2H-thiopyran has a molecular weight of 114.21 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,6-dihydro-2H-thiopyran is sourced from PubChem (CID 640542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).