4-methyl-5-methylsulfanyl-3,6-dihydro-2H-pyran

C7H12OS — CID 20605805

IUPAC4-methyl-5-methylsulfanyl-3,6-dihydro-2H-pyran
SMILESCSC1=C(C)CCOC1
InChIInChI=1S/C7H12OS/c1-6-3-4-8-5-7(6)9-2/h3-5H2,1-2H3
InChIKeyBJVIDRCAQYUUAK-UHFFFAOYSA-N
MW144.24 g/mol
LogP2.04
Rot. Bonds1

About 4-methyl-5-methylsulfanyl-3,6-dihydro-2H-pyran

4-methyl-5-methylsulfanyl-3,6-dihydro-2H-pyran (PubChem CID 20605805) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is 4-methyl-5-methylsulfanyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name4-methyl-5-methylsulfanyl-3,6-dihydro-2H-pyran
PubChem CID20605805
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name4-methyl-5-methylsulfanyl-3,6-dihydro-2H-pyran
SMILESCSC1=C(C)CCOC1
InChIInChI=1S/C7H12OS/c1-6-3-4-8-5-7(6)9-2/h3-5H2,1-2H3
InChIKeyBJVIDRCAQYUUAK-UHFFFAOYSA-N
XLogP2.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-methylsulfanyl-3,6-dihydro-2H-pyran?
The IUPAC name of 4-methyl-5-methylsulfanyl-3,6-dihydro-2H-pyran (CID 20605805) is 4-methyl-5-methylsulfanyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 4-methyl-5-methylsulfanyl-3,6-dihydro-2H-pyran?
The canonical SMILES for 4-methyl-5-methylsulfanyl-3,6-dihydro-2H-pyran is CSC1=C(C)CCOC1.
What is the InChIKey of 4-methyl-5-methylsulfanyl-3,6-dihydro-2H-pyran?
The InChIKey is BJVIDRCAQYUUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OS/c1-6-3-4-8-5-7(6)9-2/h3-5H2,1-2H3.
What are the key properties of 4-methyl-5-methylsulfanyl-3,6-dihydro-2H-pyran?
4-methyl-5-methylsulfanyl-3,6-dihydro-2H-pyran has a molecular weight of 144.24 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-methylsulfanyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 20605805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).