5-(2-methylpropyl)-6-propan-2-yl-2H-thiopyran

C12H20S — CID 59139345

IUPAC5-(2-methylpropyl)-6-propan-2-yl-2H-thiopyran
SMILESCC(C)CC1=C(C(C)C)SCC=C1
InChIInChI=1S/C12H20S/c1-9(2)8-11-6-5-7-13-12(11)10(3)4/h5-6,9-10H,7-8H2,1-4H3
InChIKeyOPFGTVOYJMRYJR-UHFFFAOYSA-N
MW196.36 g/mol
LogP4.25
Rot. Bonds3

About 5-(2-methylpropyl)-6-propan-2-yl-2H-thiopyran

5-(2-methylpropyl)-6-propan-2-yl-2H-thiopyran (PubChem CID 59139345) has the molecular formula C12H20S and a molecular weight of 196.36 g/mol. Its IUPAC name is 5-(2-methylpropyl)-6-propan-2-yl-2H-thiopyran.

Molecular Properties

Compound Name5-(2-methylpropyl)-6-propan-2-yl-2H-thiopyran
PubChem CID59139345
Molecular FormulaC12H20S
Molecular Weight196.36 g/mol
Exact Mass196.13
IUPAC Name5-(2-methylpropyl)-6-propan-2-yl-2H-thiopyran
SMILESCC(C)CC1=C(C(C)C)SCC=C1
InChIInChI=1S/C12H20S/c1-9(2)8-11-6-5-7-13-12(11)10(3)4/h5-6,9-10H,7-8H2,1-4H3
InChIKeyOPFGTVOYJMRYJR-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.36
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-(2-methylpropyl)-6-propan-2-yl-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 5-(2-methylpropyl)-6-propan-2-yl-2H-thiopyran?
The IUPAC name of 5-(2-methylpropyl)-6-propan-2-yl-2H-thiopyran (CID 59139345) is 5-(2-methylpropyl)-6-propan-2-yl-2H-thiopyran.
What is the SMILES notation for 5-(2-methylpropyl)-6-propan-2-yl-2H-thiopyran?
The canonical SMILES for 5-(2-methylpropyl)-6-propan-2-yl-2H-thiopyran is CC(C)CC1=C(C(C)C)SCC=C1.
What is the InChIKey of 5-(2-methylpropyl)-6-propan-2-yl-2H-thiopyran?
The InChIKey is OPFGTVOYJMRYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20S/c1-9(2)8-11-6-5-7-13-12(11)10(3)4/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of 5-(2-methylpropyl)-6-propan-2-yl-2H-thiopyran?
5-(2-methylpropyl)-6-propan-2-yl-2H-thiopyran has a molecular weight of 196.36 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-6-propan-2-yl-2H-thiopyran is sourced from PubChem (CID 59139345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).