4,5-dimethoxy-2-methyl-2H-thiopyran

C8H12O2S — CID 163842478

IUPAC4,5-dimethoxy-2-methyl-2H-thiopyran
SMILESCOC1=CSC(C)C=C1OC
InChIInChI=1S/C8H12O2S/c1-6-4-7(9-2)8(10-3)5-11-6/h4-6H,1-3H3
InChIKeyONEQUDMMPMEWJA-UHFFFAOYSA-N
MW172.25 g/mol
LogP2.14
Rot. Bonds2

About 4,5-dimethoxy-2-methyl-2H-thiopyran

4,5-dimethoxy-2-methyl-2H-thiopyran (PubChem CID 163842478) has the molecular formula C8H12O2S and a molecular weight of 172.25 g/mol. Its IUPAC name is 4,5-dimethoxy-2-methyl-2H-thiopyran.

Molecular Properties

Compound Name4,5-dimethoxy-2-methyl-2H-thiopyran
PubChem CID163842478
Molecular FormulaC8H12O2S
Molecular Weight172.25 g/mol
Exact Mass172.06
IUPAC Name4,5-dimethoxy-2-methyl-2H-thiopyran
SMILESCOC1=CSC(C)C=C1OC
InChIInChI=1S/C8H12O2S/c1-6-4-7(9-2)8(10-3)5-11-6/h4-6H,1-3H3
InChIKeyONEQUDMMPMEWJA-UHFFFAOYSA-N
XLogP2.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-methyl-2H-thiopyran?
The IUPAC name of 4,5-dimethoxy-2-methyl-2H-thiopyran (CID 163842478) is 4,5-dimethoxy-2-methyl-2H-thiopyran.
What is the SMILES notation for 4,5-dimethoxy-2-methyl-2H-thiopyran?
The canonical SMILES for 4,5-dimethoxy-2-methyl-2H-thiopyran is COC1=CSC(C)C=C1OC.
What is the InChIKey of 4,5-dimethoxy-2-methyl-2H-thiopyran?
The InChIKey is ONEQUDMMPMEWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2S/c1-6-4-7(9-2)8(10-3)5-11-6/h4-6H,1-3H3.
What are the key properties of 4,5-dimethoxy-2-methyl-2H-thiopyran?
4,5-dimethoxy-2-methyl-2H-thiopyran has a molecular weight of 172.25 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-methyl-2H-thiopyran is sourced from PubChem (CID 163842478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).