2-[[(E)-but-1-enyl]sulfanylmethyl]-5-methylfuran

C10H14OS — CID 146324432

IUPAC2-[[(E)-but-1-enyl]sulfanylmethyl]-5-methylfuran
SMILESCC/C=C/SCc1ccc(C)o1
InChIInChI=1S/C10H14OS/c1-3-4-7-12-8-10-6-5-9(2)11-10/h4-7H,3,8H2,1-2H3/b7-4+
InChIKeyDIHIFACSIOBNKC-QPJJXVBHSA-N
MW182.29 g/mol
LogP3.74
Rot. Bonds4

About 2-[[(E)-but-1-enyl]sulfanylmethyl]-5-methylfuran

2-[[(E)-but-1-enyl]sulfanylmethyl]-5-methylfuran (PubChem CID 146324432) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is 2-[[(E)-but-1-enyl]sulfanylmethyl]-5-methylfuran.

Molecular Properties

Compound Name2-[[(E)-but-1-enyl]sulfanylmethyl]-5-methylfuran
PubChem CID146324432
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name2-[[(E)-but-1-enyl]sulfanylmethyl]-5-methylfuran
SMILESCC/C=C/SCc1ccc(C)o1
InChIInChI=1S/C10H14OS/c1-3-4-7-12-8-10-6-5-9(2)11-10/h4-7H,3,8H2,1-2H3/b7-4+
InChIKeyDIHIFACSIOBNKC-QPJJXVBHSA-N
XLogP3.74
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-but-1-enyl]sulfanylmethyl]-5-methylfuran?
The IUPAC name of 2-[[(E)-but-1-enyl]sulfanylmethyl]-5-methylfuran (CID 146324432) is 2-[[(E)-but-1-enyl]sulfanylmethyl]-5-methylfuran.
What is the SMILES notation for 2-[[(E)-but-1-enyl]sulfanylmethyl]-5-methylfuran?
The canonical SMILES for 2-[[(E)-but-1-enyl]sulfanylmethyl]-5-methylfuran is CC/C=C/SCc1ccc(C)o1.
What is the InChIKey of 2-[[(E)-but-1-enyl]sulfanylmethyl]-5-methylfuran?
The InChIKey is DIHIFACSIOBNKC-QPJJXVBHSA-N. The full InChI is InChI=1S/C10H14OS/c1-3-4-7-12-8-10-6-5-9(2)11-10/h4-7H,3,8H2,1-2H3/b7-4+.
What are the key properties of 2-[[(E)-but-1-enyl]sulfanylmethyl]-5-methylfuran?
2-[[(E)-but-1-enyl]sulfanylmethyl]-5-methylfuran has a molecular weight of 182.29 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-but-1-enyl]sulfanylmethyl]-5-methylfuran is sourced from PubChem (CID 146324432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).