ethane;3-methyl-2-propylsulfanyl-2,3-dihydrofuran

C12H26OS — CID 143945222

IUPACethane;3-methyl-2-propylsulfanyl-2,3-dihydrofuran
SMILESCC.CC.CCCSC1OC=CC1C
InChIInChI=1S/C8H14OS.2C2H6/c1-3-6-10-8-7(2)4-5-9-8;2*1-2/h4-5,7-8H,3,6H2,1-2H3;2*1-2H3
InChIKeyKXLBQBSMTQQCLO-UHFFFAOYSA-N
MW218.41 g/mol
LogP4.69
Rot. Bonds3

About ethane;3-methyl-2-propylsulfanyl-2,3-dihydrofuran

ethane;3-methyl-2-propylsulfanyl-2,3-dihydrofuran (PubChem CID 143945222) has the molecular formula C12H26OS and a molecular weight of 218.41 g/mol. Its IUPAC name is ethane;3-methyl-2-propylsulfanyl-2,3-dihydrofuran.

Molecular Properties

Compound Nameethane;3-methyl-2-propylsulfanyl-2,3-dihydrofuran
PubChem CID143945222
Molecular FormulaC12H26OS
Molecular Weight218.41 g/mol
Exact Mass218.17
IUPAC Nameethane;3-methyl-2-propylsulfanyl-2,3-dihydrofuran
SMILESCC.CC.CCCSC1OC=CC1C
InChIInChI=1S/C8H14OS.2C2H6/c1-3-6-10-8-7(2)4-5-9-8;2*1-2/h4-5,7-8H,3,6H2,1-2H3;2*1-2H3
InChIKeyKXLBQBSMTQQCLO-UHFFFAOYSA-N
XLogP4.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.41
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-2-propylsulfanyl-2,3-dihydrofuran?
The IUPAC name of ethane;3-methyl-2-propylsulfanyl-2,3-dihydrofuran (CID 143945222) is ethane;3-methyl-2-propylsulfanyl-2,3-dihydrofuran.
What is the SMILES notation for ethane;3-methyl-2-propylsulfanyl-2,3-dihydrofuran?
The canonical SMILES for ethane;3-methyl-2-propylsulfanyl-2,3-dihydrofuran is CC.CC.CCCSC1OC=CC1C.
What is the InChIKey of ethane;3-methyl-2-propylsulfanyl-2,3-dihydrofuran?
The InChIKey is KXLBQBSMTQQCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS.2C2H6/c1-3-6-10-8-7(2)4-5-9-8;2*1-2/h4-5,7-8H,3,6H2,1-2H3;2*1-2H3.
What are the key properties of ethane;3-methyl-2-propylsulfanyl-2,3-dihydrofuran?
ethane;3-methyl-2-propylsulfanyl-2,3-dihydrofuran has a molecular weight of 218.41 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-2-propylsulfanyl-2,3-dihydrofuran is sourced from PubChem (CID 143945222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).