3-chloro-6-ethyl-5-methyl-2H-thiopyran

C8H11ClS — CID 155071887

IUPAC3-chloro-6-ethyl-5-methyl-2H-thiopyran
SMILESCCC1=C(C)C=C(Cl)CS1
InChIInChI=1S/C8H11ClS/c1-3-8-6(2)4-7(9)5-10-8/h4H,3,5H2,1-2H3
InChIKeyYCPHVWXEXZSKBP-UHFFFAOYSA-N
MW174.70 g/mol
LogP3.54
Rot. Bonds1

About 3-chloro-6-ethyl-5-methyl-2H-thiopyran

3-chloro-6-ethyl-5-methyl-2H-thiopyran (PubChem CID 155071887) has the molecular formula C8H11ClS and a molecular weight of 174.70 g/mol. Its IUPAC name is 3-chloro-6-ethyl-5-methyl-2H-thiopyran.

Molecular Properties

Compound Name3-chloro-6-ethyl-5-methyl-2H-thiopyran
PubChem CID155071887
Molecular FormulaC8H11ClS
Molecular Weight174.70 g/mol
Exact Mass174.03
IUPAC Name3-chloro-6-ethyl-5-methyl-2H-thiopyran
SMILESCCC1=C(C)C=C(Cl)CS1
InChIInChI=1S/C8H11ClS/c1-3-8-6(2)4-7(9)5-10-8/h4H,3,5H2,1-2H3
InChIKeyYCPHVWXEXZSKBP-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.70
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-ethyl-5-methyl-2H-thiopyran?
The IUPAC name of 3-chloro-6-ethyl-5-methyl-2H-thiopyran (CID 155071887) is 3-chloro-6-ethyl-5-methyl-2H-thiopyran.
What is the SMILES notation for 3-chloro-6-ethyl-5-methyl-2H-thiopyran?
The canonical SMILES for 3-chloro-6-ethyl-5-methyl-2H-thiopyran is CCC1=C(C)C=C(Cl)CS1.
What is the InChIKey of 3-chloro-6-ethyl-5-methyl-2H-thiopyran?
The InChIKey is YCPHVWXEXZSKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClS/c1-3-8-6(2)4-7(9)5-10-8/h4H,3,5H2,1-2H3.
What are the key properties of 3-chloro-6-ethyl-5-methyl-2H-thiopyran?
3-chloro-6-ethyl-5-methyl-2H-thiopyran has a molecular weight of 174.70 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-ethyl-5-methyl-2H-thiopyran is sourced from PubChem (CID 155071887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).