4-methyl-2H-thiopyran

C6H8S — CID 18974596

IUPAC4-methyl-2H-thiopyran
SMILESCC1=CCSC=C1
InChIInChI=1S/C6H8S/c1-6-2-4-7-5-3-6/h2-4H,5H2,1H3
InChIKeyWGRFNXRXBBOBPI-UHFFFAOYSA-N
MW112.20 g/mol
LogP2.19
Rot. Bonds

About 4-methyl-2H-thiopyran

4-methyl-2H-thiopyran (PubChem CID 18974596) has the molecular formula C6H8S and a molecular weight of 112.20 g/mol. Its IUPAC name is 4-methyl-2H-thiopyran.

Molecular Properties

Compound Name4-methyl-2H-thiopyran
PubChem CID18974596
Molecular FormulaC6H8S
Molecular Weight112.20 g/mol
Exact Mass112.03
IUPAC Name4-methyl-2H-thiopyran
SMILESCC1=CCSC=C1
InChIInChI=1S/C6H8S/c1-6-2-4-7-5-3-6/h2-4H,5H2,1H3
InChIKeyWGRFNXRXBBOBPI-UHFFFAOYSA-N
XLogP2.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.20
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2H-thiopyran?
The IUPAC name of 4-methyl-2H-thiopyran (CID 18974596) is 4-methyl-2H-thiopyran.
What is the SMILES notation for 4-methyl-2H-thiopyran?
The canonical SMILES for 4-methyl-2H-thiopyran is CC1=CCSC=C1.
What is the InChIKey of 4-methyl-2H-thiopyran?
The InChIKey is WGRFNXRXBBOBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8S/c1-6-2-4-7-5-3-6/h2-4H,5H2,1H3.
What are the key properties of 4-methyl-2H-thiopyran?
4-methyl-2H-thiopyran has a molecular weight of 112.20 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2H-thiopyran is sourced from PubChem (CID 18974596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).