2-tert-butylsulfanyl-1-(furan-3-yl)ethanol

C10H16O2S — CID 65132820

IUPAC2-tert-butylsulfanyl-1-(furan-3-yl)ethanol
SMILESCC(C)(C)SCC(O)c1ccoc1
InChIInChI=1S/C10H16O2S/c1-10(2,3)13-7-9(11)8-4-5-12-6-8/h4-6,9,11H,7H2,1-3H3
InChIKeyBGIPEAMKDHNUJG-UHFFFAOYSA-N
MW200.30 g/mol
LogP2.84
Rot. Bonds3

About 2-tert-butylsulfanyl-1-(furan-3-yl)ethanol

2-tert-butylsulfanyl-1-(furan-3-yl)ethanol (PubChem CID 65132820) has the molecular formula C10H16O2S and a molecular weight of 200.30 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-1-(furan-3-yl)ethanol.

Molecular Properties

Compound Name2-tert-butylsulfanyl-1-(furan-3-yl)ethanol
PubChem CID65132820
Molecular FormulaC10H16O2S
Molecular Weight200.30 g/mol
Exact Mass200.09
IUPAC Name2-tert-butylsulfanyl-1-(furan-3-yl)ethanol
SMILESCC(C)(C)SCC(O)c1ccoc1
InChIInChI=1S/C10H16O2S/c1-10(2,3)13-7-9(11)8-4-5-12-6-8/h4-6,9,11H,7H2,1-3H3
InChIKeyBGIPEAMKDHNUJG-UHFFFAOYSA-N
XLogP2.84
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-1-(furan-3-yl)ethanol?
The IUPAC name of 2-tert-butylsulfanyl-1-(furan-3-yl)ethanol (CID 65132820) is 2-tert-butylsulfanyl-1-(furan-3-yl)ethanol.
What is the SMILES notation for 2-tert-butylsulfanyl-1-(furan-3-yl)ethanol?
The canonical SMILES for 2-tert-butylsulfanyl-1-(furan-3-yl)ethanol is CC(C)(C)SCC(O)c1ccoc1.
What is the InChIKey of 2-tert-butylsulfanyl-1-(furan-3-yl)ethanol?
The InChIKey is BGIPEAMKDHNUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2S/c1-10(2,3)13-7-9(11)8-4-5-12-6-8/h4-6,9,11H,7H2,1-3H3.
What are the key properties of 2-tert-butylsulfanyl-1-(furan-3-yl)ethanol?
2-tert-butylsulfanyl-1-(furan-3-yl)ethanol has a molecular weight of 200.30 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-1-(furan-3-yl)ethanol is sourced from PubChem (CID 65132820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).