3,4-dimethyl-2H-thiopyran

C7H10S — CID 54008874

IUPAC3,4-dimethyl-2H-thiopyran
SMILESCC1=C(C)CSC=C1
InChIInChI=1S/C7H10S/c1-6-3-4-8-5-7(6)2/h3-4H,5H2,1-2H3
InChIKeyYKIIDOBJDXDABZ-UHFFFAOYSA-N
MW126.22 g/mol
LogP2.58
Rot. Bonds

About 3,4-dimethyl-2H-thiopyran

3,4-dimethyl-2H-thiopyran (PubChem CID 54008874) has the molecular formula C7H10S and a molecular weight of 126.22 g/mol. Its IUPAC name is 3,4-dimethyl-2H-thiopyran.

Molecular Properties

Compound Name3,4-dimethyl-2H-thiopyran
PubChem CID54008874
Molecular FormulaC7H10S
Molecular Weight126.22 g/mol
Exact Mass126.05
IUPAC Name3,4-dimethyl-2H-thiopyran
SMILESCC1=C(C)CSC=C1
InChIInChI=1S/C7H10S/c1-6-3-4-8-5-7(6)2/h3-4H,5H2,1-2H3
InChIKeyYKIIDOBJDXDABZ-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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2H-thiopyran?
The IUPAC name of 3,4-dimethyl-2H-thiopyran (CID 54008874) is 3,4-dimethyl-2H-thiopyran.
What is the SMILES notation for 3,4-dimethyl-2H-thiopyran?
The canonical SMILES for 3,4-dimethyl-2H-thiopyran is CC1=C(C)CSC=C1.
What is the InChIKey of 3,4-dimethyl-2H-thiopyran?
The InChIKey is YKIIDOBJDXDABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10S/c1-6-3-4-8-5-7(6)2/h3-4H,5H2,1-2H3.
What are the key properties of 3,4-dimethyl-2H-thiopyran?
3,4-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 3,4-dimethyl-2H-thiopyran is sourced from PubChem (CID 54008874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).