2-tert-butyl-3-methylthieno[3,2-b]furan

C11H14OS — CID 129149024

IUPAC2-tert-butyl-3-methylthieno[3,2-b]furan
SMILESCc1c(C(C)(C)C)oc2ccsc12
InChIInChI=1S/C11H14OS/c1-7-9-8(5-6-13-9)12-10(7)11(2,3)4/h5-6H,1-4H3
InChIKeyRDWRVLACCLLIGJ-UHFFFAOYSA-N
MW194.30 g/mol
LogP4.10
Rot. Bonds

About 2-tert-butyl-3-methylthieno[3,2-b]furan

2-tert-butyl-3-methylthieno[3,2-b]furan (PubChem CID 129149024) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-tert-butyl-3-methylthieno[3,2-b]furan.

Molecular Properties

Compound Name2-tert-butyl-3-methylthieno[3,2-b]furan
PubChem CID129149024
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name2-tert-butyl-3-methylthieno[3,2-b]furan
SMILESCc1c(C(C)(C)C)oc2ccsc12
InChIInChI=1S/C11H14OS/c1-7-9-8(5-6-13-9)12-10(7)11(2,3)4/h5-6H,1-4H3
InChIKeyRDWRVLACCLLIGJ-UHFFFAOYSA-N
XLogP4.10
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-methylthieno[3,2-b]furan?
The IUPAC name of 2-tert-butyl-3-methylthieno[3,2-b]furan (CID 129149024) is 2-tert-butyl-3-methylthieno[3,2-b]furan.
What is the SMILES notation for 2-tert-butyl-3-methylthieno[3,2-b]furan?
The canonical SMILES for 2-tert-butyl-3-methylthieno[3,2-b]furan is Cc1c(C(C)(C)C)oc2ccsc12.
What is the InChIKey of 2-tert-butyl-3-methylthieno[3,2-b]furan?
The InChIKey is RDWRVLACCLLIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS/c1-7-9-8(5-6-13-9)12-10(7)11(2,3)4/h5-6H,1-4H3.
What are the key properties of 2-tert-butyl-3-methylthieno[3,2-b]furan?
2-tert-butyl-3-methylthieno[3,2-b]furan has a molecular weight of 194.30 g/mol, XLogP of 4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-methylthieno[3,2-b]furan is sourced from PubChem (CID 129149024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).