2,5-dimethyl-4H-thiopyran

C7H10S — CID 18339227

IUPAC2,5-dimethyl-4H-thiopyran
SMILESCC1=CSC(C)=CC1
InChIInChI=1S/C7H10S/c1-6-3-4-7(2)8-5-6/h4-5H,3H2,1-2H3
InChIKeyBOQVUJYXEMYDDW-UHFFFAOYSA-N
MW126.22 g/mol
LogP2.93
Rot. Bonds

About 2,5-dimethyl-4H-thiopyran

2,5-dimethyl-4H-thiopyran (PubChem CID 18339227) has the molecular formula C7H10S and a molecular weight of 126.22 g/mol. Its IUPAC name is 2,5-dimethyl-4H-thiopyran.

Molecular Properties

Compound Name2,5-dimethyl-4H-thiopyran
PubChem CID18339227
Molecular FormulaC7H10S
Molecular Weight126.22 g/mol
Exact Mass126.05
IUPAC Name2,5-dimethyl-4H-thiopyran
SMILESCC1=CSC(C)=CC1
InChIInChI=1S/C7H10S/c1-6-3-4-7(2)8-5-6/h4-5H,3H2,1-2H3
InChIKeyBOQVUJYXEMYDDW-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4H-thiopyran?
The IUPAC name of 2,5-dimethyl-4H-thiopyran (CID 18339227) is 2,5-dimethyl-4H-thiopyran.
What is the SMILES notation for 2,5-dimethyl-4H-thiopyran?
The canonical SMILES for 2,5-dimethyl-4H-thiopyran is CC1=CSC(C)=CC1.
What is the InChIKey of 2,5-dimethyl-4H-thiopyran?
The InChIKey is BOQVUJYXEMYDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10S/c1-6-3-4-7(2)8-5-6/h4-5H,3H2,1-2H3.
What are the key properties of 2,5-dimethyl-4H-thiopyran?
2,5-dimethyl-4H-thiopyran has a molecular weight of 126.22 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4H-thiopyran is sourced from PubChem (CID 18339227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).