(1S)-2-ethylsulfanyl-1-(furan-2-yl)ethanol

C8H12O2S — CID 130129571

IUPAC(1S)-2-ethylsulfanyl-1-(furan-2-yl)ethanol
SMILESCCSC[C@@H](O)c1ccco1
InChIInChI=1S/C8H12O2S/c1-2-11-6-7(9)8-4-3-5-10-8/h3-5,7,9H,2,6H2,1H3/t7-/m1/s1
InChIKeyVPQCFKIRKNPTFS-SSDOTTSWSA-N
MW172.25 g/mol
LogP2.07
Rot. Bonds4

About (1S)-2-ethylsulfanyl-1-(furan-2-yl)ethanol

(1S)-2-ethylsulfanyl-1-(furan-2-yl)ethanol (PubChem CID 130129571) has the molecular formula C8H12O2S and a molecular weight of 172.25 g/mol. Its IUPAC name is (1S)-2-ethylsulfanyl-1-(furan-2-yl)ethanol.

Molecular Properties

Compound Name(1S)-2-ethylsulfanyl-1-(furan-2-yl)ethanol
PubChem CID130129571
Molecular FormulaC8H12O2S
Molecular Weight172.25 g/mol
Exact Mass172.06
IUPAC Name(1S)-2-ethylsulfanyl-1-(furan-2-yl)ethanol
SMILESCCSC[C@@H](O)c1ccco1
InChIInChI=1S/C8H12O2S/c1-2-11-6-7(9)8-4-3-5-10-8/h3-5,7,9H,2,6H2,1H3/t7-/m1/s1
InChIKeyVPQCFKIRKNPTFS-SSDOTTSWSA-N
XLogP2.07
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-ethylsulfanyl-1-(furan-2-yl)ethanol?
The IUPAC name of (1S)-2-ethylsulfanyl-1-(furan-2-yl)ethanol (CID 130129571) is (1S)-2-ethylsulfanyl-1-(furan-2-yl)ethanol.
What is the SMILES notation for (1S)-2-ethylsulfanyl-1-(furan-2-yl)ethanol?
The canonical SMILES for (1S)-2-ethylsulfanyl-1-(furan-2-yl)ethanol is CCSC[C@@H](O)c1ccco1.
What is the InChIKey of (1S)-2-ethylsulfanyl-1-(furan-2-yl)ethanol?
The InChIKey is VPQCFKIRKNPTFS-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H12O2S/c1-2-11-6-7(9)8-4-3-5-10-8/h3-5,7,9H,2,6H2,1H3/t7-/m1/s1.
What are the key properties of (1S)-2-ethylsulfanyl-1-(furan-2-yl)ethanol?
(1S)-2-ethylsulfanyl-1-(furan-2-yl)ethanol has a molecular weight of 172.25 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-ethylsulfanyl-1-(furan-2-yl)ethanol is sourced from PubChem (CID 130129571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).