6-methyl-5-propan-2-yl-3,4-dihydro-2H-thiopyran

C9H16S — CID 89036741

IUPAC6-methyl-5-propan-2-yl-3,4-dihydro-2H-thiopyran
SMILESCC1=C(C(C)C)CCCS1
InChIInChI=1S/C9H16S/c1-7(2)9-5-4-6-10-8(9)3/h7H,4-6H2,1-3H3
InChIKeyFIHDCWRTDAGBCH-UHFFFAOYSA-N
MW156.29 g/mol
LogP3.44
Rot. Bonds1

About 6-methyl-5-propan-2-yl-3,4-dihydro-2H-thiopyran

6-methyl-5-propan-2-yl-3,4-dihydro-2H-thiopyran (PubChem CID 89036741) has the molecular formula C9H16S and a molecular weight of 156.29 g/mol. Its IUPAC name is 6-methyl-5-propan-2-yl-3,4-dihydro-2H-thiopyran.

Molecular Properties

Compound Name6-methyl-5-propan-2-yl-3,4-dihydro-2H-thiopyran
PubChem CID89036741
Molecular FormulaC9H16S
Molecular Weight156.29 g/mol
Exact Mass156.10
IUPAC Name6-methyl-5-propan-2-yl-3,4-dihydro-2H-thiopyran
SMILESCC1=C(C(C)C)CCCS1
InChIInChI=1S/C9H16S/c1-7(2)9-5-4-6-10-8(9)3/h7H,4-6H2,1-3H3
InChIKeyFIHDCWRTDAGBCH-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-methyl-5-propan-2-yl-3,4-dihydro-2H-thiopyran 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 6-methyl-5-propan-2-yl-3,4-dihydro-2H-thiopyran?
The IUPAC name of 6-methyl-5-propan-2-yl-3,4-dihydro-2H-thiopyran (CID 89036741) is 6-methyl-5-propan-2-yl-3,4-dihydro-2H-thiopyran.
What is the SMILES notation for 6-methyl-5-propan-2-yl-3,4-dihydro-2H-thiopyran?
The canonical SMILES for 6-methyl-5-propan-2-yl-3,4-dihydro-2H-thiopyran is CC1=C(C(C)C)CCCS1.
What is the InChIKey of 6-methyl-5-propan-2-yl-3,4-dihydro-2H-thiopyran?
The InChIKey is FIHDCWRTDAGBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16S/c1-7(2)9-5-4-6-10-8(9)3/h7H,4-6H2,1-3H3.
What are the key properties of 6-methyl-5-propan-2-yl-3,4-dihydro-2H-thiopyran?
6-methyl-5-propan-2-yl-3,4-dihydro-2H-thiopyran has a molecular weight of 156.29 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-propan-2-yl-3,4-dihydro-2H-thiopyran is sourced from PubChem (CID 89036741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).