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

C11H24OS — CID 143744948

IUPACethane;4-methyl-5-methylsulfanyl-3,6-dihydro-2H-pyran
SMILESCC.CC.CSC1=C(C)CCOC1
InChIInChI=1S/C7H12OS.2C2H6/c1-6-3-4-8-5-7(6)9-2;2*1-2/h3-5H2,1-2H3;2*1-2H3
InChIKeyCYAURVMNLXNIEL-UHFFFAOYSA-N
MW204.38 g/mol
LogP4.10
Rot. Bonds1

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

ethane;4-methyl-5-methylsulfanyl-3,6-dihydro-2H-pyran (PubChem CID 143744948) has the molecular formula C11H24OS and a molecular weight of 204.38 g/mol. Its IUPAC name is ethane;4-methyl-5-methylsulfanyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Nameethane;4-methyl-5-methylsulfanyl-3,6-dihydro-2H-pyran
PubChem CID143744948
Molecular FormulaC11H24OS
Molecular Weight204.38 g/mol
Exact Mass204.15
IUPAC Nameethane;4-methyl-5-methylsulfanyl-3,6-dihydro-2H-pyran
SMILESCC.CC.CSC1=C(C)CCOC1
InChIInChI=1S/C7H12OS.2C2H6/c1-6-3-4-8-5-7(6)9-2;2*1-2/h3-5H2,1-2H3;2*1-2H3
InChIKeyCYAURVMNLXNIEL-UHFFFAOYSA-N
XLogP4.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.38
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-5-methylsulfanyl-3,6-dihydro-2H-pyran?
The IUPAC name of ethane;4-methyl-5-methylsulfanyl-3,6-dihydro-2H-pyran (CID 143744948) is ethane;4-methyl-5-methylsulfanyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for ethane;4-methyl-5-methylsulfanyl-3,6-dihydro-2H-pyran?
The canonical SMILES for ethane;4-methyl-5-methylsulfanyl-3,6-dihydro-2H-pyran is CC.CC.CSC1=C(C)CCOC1.
What is the InChIKey of ethane;4-methyl-5-methylsulfanyl-3,6-dihydro-2H-pyran?
The InChIKey is CYAURVMNLXNIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OS.2C2H6/c1-6-3-4-8-5-7(6)9-2;2*1-2/h3-5H2,1-2H3;2*1-2H3.
What are the key properties of ethane;4-methyl-5-methylsulfanyl-3,6-dihydro-2H-pyran?
ethane;4-methyl-5-methylsulfanyl-3,6-dihydro-2H-pyran has a molecular weight of 204.38 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-5-methylsulfanyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 143744948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).