3-methyl-2-methylsulfanyl-3aH-cyclopenta[b]furan

C9H10OS — CID 138709803

IUPAC3-methyl-2-methylsulfanyl-3aH-cyclopenta[b]furan
SMILESCSC1=C(C)C2C=CC=C2O1
InChIInChI=1S/C9H10OS/c1-6-7-4-3-5-8(7)10-9(6)11-2/h3-5,7H,1-2H3
InChIKeyJXOFZOUFPMDFJA-UHFFFAOYSA-N
MW166.24 g/mol
LogP2.68
Rot. Bonds1

About 3-methyl-2-methylsulfanyl-3aH-cyclopenta[b]furan

3-methyl-2-methylsulfanyl-3aH-cyclopenta[b]furan (PubChem CID 138709803) has the molecular formula C9H10OS and a molecular weight of 166.24 g/mol. Its IUPAC name is 3-methyl-2-methylsulfanyl-3aH-cyclopenta[b]furan.

Molecular Properties

Compound Name3-methyl-2-methylsulfanyl-3aH-cyclopenta[b]furan
PubChem CID138709803
Molecular FormulaC9H10OS
Molecular Weight166.24 g/mol
Exact Mass166.05
IUPAC Name3-methyl-2-methylsulfanyl-3aH-cyclopenta[b]furan
SMILESCSC1=C(C)C2C=CC=C2O1
InChIInChI=1S/C9H10OS/c1-6-7-4-3-5-8(7)10-9(6)11-2/h3-5,7H,1-2H3
InChIKeyJXOFZOUFPMDFJA-UHFFFAOYSA-N
XLogP2.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-methylsulfanyl-3aH-cyclopenta[b]furan?
The IUPAC name of 3-methyl-2-methylsulfanyl-3aH-cyclopenta[b]furan (CID 138709803) is 3-methyl-2-methylsulfanyl-3aH-cyclopenta[b]furan.
What is the SMILES notation for 3-methyl-2-methylsulfanyl-3aH-cyclopenta[b]furan?
The canonical SMILES for 3-methyl-2-methylsulfanyl-3aH-cyclopenta[b]furan is CSC1=C(C)C2C=CC=C2O1.
What is the InChIKey of 3-methyl-2-methylsulfanyl-3aH-cyclopenta[b]furan?
The InChIKey is JXOFZOUFPMDFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10OS/c1-6-7-4-3-5-8(7)10-9(6)11-2/h3-5,7H,1-2H3.
What are the key properties of 3-methyl-2-methylsulfanyl-3aH-cyclopenta[b]furan?
3-methyl-2-methylsulfanyl-3aH-cyclopenta[b]furan has a molecular weight of 166.24 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylsulfanyl-3aH-cyclopenta[b]furan is sourced from PubChem (CID 138709803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).