2,6-dimethyl-2H-thiopyran

C7H10S — CID 21272906

IUPAC2,6-dimethyl-2H-thiopyran
SMILESCC1=CC=CC(C)S1
InChIInChI=1S/C7H10S/c1-6-4-3-5-7(2)8-6/h3-6H,1-2H3
InChIKeyOKPJSYXAKQULTC-UHFFFAOYSA-N
MW126.22 g/mol
LogP2.58
Rot. Bonds

About 2,6-dimethyl-2H-thiopyran

2,6-dimethyl-2H-thiopyran (PubChem CID 21272906) has the molecular formula C7H10S and a molecular weight of 126.22 g/mol. Its IUPAC name is 2,6-dimethyl-2H-thiopyran.

Molecular Properties

Compound Name2,6-dimethyl-2H-thiopyran
PubChem CID21272906
Molecular FormulaC7H10S
Molecular Weight126.22 g/mol
Exact Mass126.05
IUPAC Name2,6-dimethyl-2H-thiopyran
SMILESCC1=CC=CC(C)S1
InChIInChI=1S/C7H10S/c1-6-4-3-5-7(2)8-6/h3-6H,1-2H3
InChIKeyOKPJSYXAKQULTC-UHFFFAOYSA-N
XLogP2.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.22
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,6-dimethyl-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

Related Compounds

3,6-Dihydro-2H-thiopyran
CID 567880
2-methyl-(2H)-thiapyran
CID 527054
2,5-Dihydro-2-methylthiophen
CID 13115594
2,5-Dimethyl-2,5-dihydrothiophene
CID 293717
4-(Methylsulfanyl)-2-pentene
CID 534914
2-Methyl-5,6-dihydrothiopyran
CID 13615975
6-ethyl-2H-thiopyran
CID 19737637
4-Ethylthiocyclopentadiene
CID 68403138
Di(1-cyclohepta-2,4,6-trienyl)sulfane
CID 86130057
Cyclopentadienylsulfide
CID 100951032
Methyl thiopyrone
CID 129761118
dimethyl-2H-thiopyran
CID 129890696

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-2H-thiopyran?
The IUPAC name of 2,6-dimethyl-2H-thiopyran (CID 21272906) is 2,6-dimethyl-2H-thiopyran.
What is the SMILES notation for 2,6-dimethyl-2H-thiopyran?
The canonical SMILES for 2,6-dimethyl-2H-thiopyran is CC1=CC=CC(C)S1.
What is the InChIKey of 2,6-dimethyl-2H-thiopyran?
The InChIKey is OKPJSYXAKQULTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10S/c1-6-4-3-5-7(2)8-6/h3-6H,1-2H3.
What are the key properties of 2,6-dimethyl-2H-thiopyran?
2,6-dimethyl-2H-thiopyran has a molecular weight of 126.22 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-2H-thiopyran is sourced from PubChem (CID 21272906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).