6-chloro-2,4-dimethyl-3,6-dihydro-2H-thiopyran

C7H11ClS — CID 134526728

IUPAC6-chloro-2,4-dimethyl-3,6-dihydro-2H-thiopyran
SMILESCC1=CC(Cl)SC(C)C1
InChIInChI=1S/C7H11ClS/c1-5-3-6(2)9-7(8)4-5/h4,6-7H,3H2,1-2H3
InChIKeyGGELWNNBFLLKGG-UHFFFAOYSA-N
MW162.69 g/mol
LogP3.02
Rot. Bonds

About 6-chloro-2,4-dimethyl-3,6-dihydro-2H-thiopyran

6-chloro-2,4-dimethyl-3,6-dihydro-2H-thiopyran (PubChem CID 134526728) has the molecular formula C7H11ClS and a molecular weight of 162.69 g/mol. Its IUPAC name is 6-chloro-2,4-dimethyl-3,6-dihydro-2H-thiopyran.

Molecular Properties

Compound Name6-chloro-2,4-dimethyl-3,6-dihydro-2H-thiopyran
PubChem CID134526728
Molecular FormulaC7H11ClS
Molecular Weight162.69 g/mol
Exact Mass162.03
IUPAC Name6-chloro-2,4-dimethyl-3,6-dihydro-2H-thiopyran
SMILESCC1=CC(Cl)SC(C)C1
InChIInChI=1S/C7H11ClS/c1-5-3-6(2)9-7(8)4-5/h4,6-7H,3H2,1-2H3
InChIKeyGGELWNNBFLLKGG-UHFFFAOYSA-N
XLogP3.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.69
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,4-dimethyl-3,6-dihydro-2H-thiopyran?
The IUPAC name of 6-chloro-2,4-dimethyl-3,6-dihydro-2H-thiopyran (CID 134526728) is 6-chloro-2,4-dimethyl-3,6-dihydro-2H-thiopyran.
What is the SMILES notation for 6-chloro-2,4-dimethyl-3,6-dihydro-2H-thiopyran?
The canonical SMILES for 6-chloro-2,4-dimethyl-3,6-dihydro-2H-thiopyran is CC1=CC(Cl)SC(C)C1.
What is the InChIKey of 6-chloro-2,4-dimethyl-3,6-dihydro-2H-thiopyran?
The InChIKey is GGELWNNBFLLKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClS/c1-5-3-6(2)9-7(8)4-5/h4,6-7H,3H2,1-2H3.
What are the key properties of 6-chloro-2,4-dimethyl-3,6-dihydro-2H-thiopyran?
6-chloro-2,4-dimethyl-3,6-dihydro-2H-thiopyran has a molecular weight of 162.69 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,4-dimethyl-3,6-dihydro-2H-thiopyran is sourced from PubChem (CID 134526728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).