4-methyl-3,4-dihydro-2H-thiopyran

C6H10S — CID 58966977

IUPAC4-methyl-3,4-dihydro-2H-thiopyran
SMILESCC1C=CSCC1
InChIInChI=1S/C6H10S/c1-6-2-4-7-5-3-6/h2,4,6H,3,5H2,1H3
InChIKeyFVZHYHCSAYUSQQ-UHFFFAOYSA-N
MW114.21 g/mol
LogP2.27
Rot. Bonds

About 4-methyl-3,4-dihydro-2H-thiopyran

4-methyl-3,4-dihydro-2H-thiopyran (PubChem CID 58966977) has the molecular formula C6H10S and a molecular weight of 114.21 g/mol. Its IUPAC name is 4-methyl-3,4-dihydro-2H-thiopyran.

Molecular Properties

Compound Name4-methyl-3,4-dihydro-2H-thiopyran
PubChem CID58966977
Molecular FormulaC6H10S
Molecular Weight114.21 g/mol
Exact Mass114.05
IUPAC Name4-methyl-3,4-dihydro-2H-thiopyran
SMILESCC1C=CSCC1
InChIInChI=1S/C6H10S/c1-6-2-4-7-5-3-6/h2,4,6H,3,5H2,1H3
InChIKeyFVZHYHCSAYUSQQ-UHFFFAOYSA-N
XLogP2.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.21
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,4-dihydro-2H-thiopyran?
The IUPAC name of 4-methyl-3,4-dihydro-2H-thiopyran (CID 58966977) is 4-methyl-3,4-dihydro-2H-thiopyran.
What is the SMILES notation for 4-methyl-3,4-dihydro-2H-thiopyran?
The canonical SMILES for 4-methyl-3,4-dihydro-2H-thiopyran is CC1C=CSCC1.
What is the InChIKey of 4-methyl-3,4-dihydro-2H-thiopyran?
The InChIKey is FVZHYHCSAYUSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10S/c1-6-2-4-7-5-3-6/h2,4,6H,3,5H2,1H3.
What are the key properties of 4-methyl-3,4-dihydro-2H-thiopyran?
4-methyl-3,4-dihydro-2H-thiopyran has a molecular weight of 114.21 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,4-dihydro-2H-thiopyran is sourced from PubChem (CID 58966977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).