6-methylsulfanyl-3,6-dihydro-2H-pyran

C6H10OS — CID 91493102

IUPAC6-methylsulfanyl-3,6-dihydro-2H-pyran
SMILESCSC1C=CCCO1
InChIInChI=1S/C6H10OS/c1-8-6-4-2-3-5-7-6/h2,4,6H,3,5H2,1H3
InChIKeyMWBNQXXPGIMWEW-UHFFFAOYSA-N
MW130.21 g/mol
LogP1.65
Rot. Bonds1

About 6-methylsulfanyl-3,6-dihydro-2H-pyran

6-methylsulfanyl-3,6-dihydro-2H-pyran (PubChem CID 91493102) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 6-methylsulfanyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name6-methylsulfanyl-3,6-dihydro-2H-pyran
PubChem CID91493102
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name6-methylsulfanyl-3,6-dihydro-2H-pyran
SMILESCSC1C=CCCO1
InChIInChI=1S/C6H10OS/c1-8-6-4-2-3-5-7-6/h2,4,6H,3,5H2,1H3
InChIKeyMWBNQXXPGIMWEW-UHFFFAOYSA-N
XLogP1.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 6-methylsulfanyl-3,6-dihydro-2H-pyran?
The IUPAC name of 6-methylsulfanyl-3,6-dihydro-2H-pyran (CID 91493102) is 6-methylsulfanyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 6-methylsulfanyl-3,6-dihydro-2H-pyran?
The canonical SMILES for 6-methylsulfanyl-3,6-dihydro-2H-pyran is CSC1C=CCCO1.
What is the InChIKey of 6-methylsulfanyl-3,6-dihydro-2H-pyran?
The InChIKey is MWBNQXXPGIMWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-8-6-4-2-3-5-7-6/h2,4,6H,3,5H2,1H3.
What are the key properties of 6-methylsulfanyl-3,6-dihydro-2H-pyran?
6-methylsulfanyl-3,6-dihydro-2H-pyran has a molecular weight of 130.21 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 91493102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).