2-methyl-3-propan-2-ylsulfanylfuran

C8H12OS — CID 20588045

IUPAC2-methyl-3-propan-2-ylsulfanylfuran
SMILESCc1occc1SC(C)C
InChIInChI=1S/C8H12OS/c1-6(2)10-8-4-5-9-7(8)3/h4-6H,1-3H3
InChIKeyGHJGAJAONYSIHA-UHFFFAOYSA-N
MW156.25 g/mol
LogP3.09
Rot. Bonds2

About 2-methyl-3-propan-2-ylsulfanylfuran

2-methyl-3-propan-2-ylsulfanylfuran (PubChem CID 20588045) has the molecular formula C8H12OS and a molecular weight of 156.25 g/mol. Its IUPAC name is 2-methyl-3-propan-2-ylsulfanylfuran.

Molecular Properties

Compound Name2-methyl-3-propan-2-ylsulfanylfuran
PubChem CID20588045
Molecular FormulaC8H12OS
Molecular Weight156.25 g/mol
Exact Mass156.06
IUPAC Name2-methyl-3-propan-2-ylsulfanylfuran
SMILESCc1occc1SC(C)C
InChIInChI=1S/C8H12OS/c1-6(2)10-8-4-5-9-7(8)3/h4-6H,1-3H3
InChIKeyGHJGAJAONYSIHA-UHFFFAOYSA-N
XLogP3.09
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-propan-2-ylsulfanylfuran?
The IUPAC name of 2-methyl-3-propan-2-ylsulfanylfuran (CID 20588045) is 2-methyl-3-propan-2-ylsulfanylfuran.
What is the SMILES notation for 2-methyl-3-propan-2-ylsulfanylfuran?
The canonical SMILES for 2-methyl-3-propan-2-ylsulfanylfuran is Cc1occc1SC(C)C.
What is the InChIKey of 2-methyl-3-propan-2-ylsulfanylfuran?
The InChIKey is GHJGAJAONYSIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12OS/c1-6(2)10-8-4-5-9-7(8)3/h4-6H,1-3H3.
What are the key properties of 2-methyl-3-propan-2-ylsulfanylfuran?
2-methyl-3-propan-2-ylsulfanylfuran has a molecular weight of 156.25 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propan-2-ylsulfanylfuran is sourced from PubChem (CID 20588045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).