2-ethyl-4-(thian-3-yl)furan

C11H16OS — CID 57116604

IUPAC2-ethyl-4-(thian-3-yl)furan
SMILESCCc1cc(C2CCCSC2)co1
InChIInChI=1S/C11H16OS/c1-2-11-6-10(7-12-11)9-4-3-5-13-8-9/h6-7,9H,2-5,8H2,1H3
InChIKeyQWTZFMCMBISXOS-UHFFFAOYSA-N
MW196.31 g/mol
LogP3.45
Rot. Bonds2

About 2-ethyl-4-(thian-3-yl)furan

2-ethyl-4-(thian-3-yl)furan (PubChem CID 57116604) has the molecular formula C11H16OS and a molecular weight of 196.31 g/mol. Its IUPAC name is 2-ethyl-4-(thian-3-yl)furan.

Molecular Properties

Compound Name2-ethyl-4-(thian-3-yl)furan
PubChem CID57116604
Molecular FormulaC11H16OS
Molecular Weight196.31 g/mol
Exact Mass196.09
IUPAC Name2-ethyl-4-(thian-3-yl)furan
SMILESCCc1cc(C2CCCSC2)co1
InChIInChI=1S/C11H16OS/c1-2-11-6-10(7-12-11)9-4-3-5-13-8-9/h6-7,9H,2-5,8H2,1H3
InChIKeyQWTZFMCMBISXOS-UHFFFAOYSA-N
XLogP3.45
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(thian-3-yl)furan?
The IUPAC name of 2-ethyl-4-(thian-3-yl)furan (CID 57116604) is 2-ethyl-4-(thian-3-yl)furan.
What is the SMILES notation for 2-ethyl-4-(thian-3-yl)furan?
The canonical SMILES for 2-ethyl-4-(thian-3-yl)furan is CCc1cc(C2CCCSC2)co1.
What is the InChIKey of 2-ethyl-4-(thian-3-yl)furan?
The InChIKey is QWTZFMCMBISXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS/c1-2-11-6-10(7-12-11)9-4-3-5-13-8-9/h6-7,9H,2-5,8H2,1H3.
What are the key properties of 2-ethyl-4-(thian-3-yl)furan?
2-ethyl-4-(thian-3-yl)furan has a molecular weight of 196.31 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(thian-3-yl)furan is sourced from PubChem (CID 57116604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).