5-methylsulfanyl-3,4-dihydro-2H-pyran

C6H10OS — CID 119098223

IUPAC5-methylsulfanyl-3,4-dihydro-2H-pyran
SMILESCSC1=COCCC1
InChIInChI=1S/C6H10OS/c1-8-6-3-2-4-7-5-6/h5H,2-4H2,1H3
InChIKeyCSCVATAFTUAMEU-UHFFFAOYSA-N
MW130.21 g/mol
LogP2.00
Rot. Bonds1

About 5-methylsulfanyl-3,4-dihydro-2H-pyran

5-methylsulfanyl-3,4-dihydro-2H-pyran (PubChem CID 119098223) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 5-methylsulfanyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name5-methylsulfanyl-3,4-dihydro-2H-pyran
PubChem CID119098223
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name5-methylsulfanyl-3,4-dihydro-2H-pyran
SMILESCSC1=COCCC1
InChIInChI=1S/C6H10OS/c1-8-6-3-2-4-7-5-6/h5H,2-4H2,1H3
InChIKeyCSCVATAFTUAMEU-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-methylsulfanyl-3,4-dihydro-2H-pyran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-3,4-dihydro-2H-pyran?
The IUPAC name of 5-methylsulfanyl-3,4-dihydro-2H-pyran (CID 119098223) is 5-methylsulfanyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 5-methylsulfanyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 5-methylsulfanyl-3,4-dihydro-2H-pyran is CSC1=COCCC1.
What is the InChIKey of 5-methylsulfanyl-3,4-dihydro-2H-pyran?
The InChIKey is CSCVATAFTUAMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-8-6-3-2-4-7-5-6/h5H,2-4H2,1H3.
What are the key properties of 5-methylsulfanyl-3,4-dihydro-2H-pyran?
5-methylsulfanyl-3,4-dihydro-2H-pyran has a molecular weight of 130.21 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 119098223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).