2-propan-2-yl-2H-thiopyran

C8H12S — CID 58503063

IUPAC2-propan-2-yl-2H-thiopyran
SMILESCC(C)C1C=CC=CS1
InChIInChI=1S/C8H12S/c1-7(2)8-5-3-4-6-9-8/h3-8H,1-2H3
InChIKeyYHPHXKZGZHPYME-UHFFFAOYSA-N
MW140.25 g/mol
LogP2.83
Rot. Bonds1

About 2-propan-2-yl-2H-thiopyran

2-propan-2-yl-2H-thiopyran (PubChem CID 58503063) has the molecular formula C8H12S and a molecular weight of 140.25 g/mol. Its IUPAC name is 2-propan-2-yl-2H-thiopyran.

Molecular Properties

Compound Name2-propan-2-yl-2H-thiopyran
PubChem CID58503063
Molecular FormulaC8H12S
Molecular Weight140.25 g/mol
Exact Mass140.07
IUPAC Name2-propan-2-yl-2H-thiopyran
SMILESCC(C)C1C=CC=CS1
InChIInChI=1S/C8H12S/c1-7(2)8-5-3-4-6-9-8/h3-8H,1-2H3
InChIKeyYHPHXKZGZHPYME-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-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 2-propan-2-yl-2H-thiopyran?
The IUPAC name of 2-propan-2-yl-2H-thiopyran (CID 58503063) is 2-propan-2-yl-2H-thiopyran.
What is the SMILES notation for 2-propan-2-yl-2H-thiopyran?
The canonical SMILES for 2-propan-2-yl-2H-thiopyran is CC(C)C1C=CC=CS1.
What is the InChIKey of 2-propan-2-yl-2H-thiopyran?
The InChIKey is YHPHXKZGZHPYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S/c1-7(2)8-5-3-4-6-9-8/h3-8H,1-2H3.
What are the key properties of 2-propan-2-yl-2H-thiopyran?
2-propan-2-yl-2H-thiopyran has a molecular weight of 140.25 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-2H-thiopyran is sourced from PubChem (CID 58503063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).