(5-ethyl-2-ethylsulfanylthiophen-3-yl)methanol

C9H14OS2 — CID 784944

IUPAC(5-ethyl-2-ethylsulfanylthiophen-3-yl)methanol
SMILESCCSc1sc(CC)cc1CO
InChIInChI=1S/C9H14OS2/c1-3-8-5-7(6-10)9(12-8)11-4-2/h5,10H,3-4,6H2,1-2H3
InChIKeyWUXNTJZTKSZGLT-UHFFFAOYSA-N
MW202.34 g/mol
LogP2.91
Rot. Bonds4

About (5-ethyl-2-ethylsulfanylthiophen-3-yl)methanol

(5-ethyl-2-ethylsulfanylthiophen-3-yl)methanol (PubChem CID 784944) has the molecular formula C9H14OS2 and a molecular weight of 202.34 g/mol. Its IUPAC name is (5-ethyl-2-ethylsulfanylthiophen-3-yl)methanol.

Molecular Properties

Compound Name(5-ethyl-2-ethylsulfanylthiophen-3-yl)methanol
PubChem CID784944
Molecular FormulaC9H14OS2
Molecular Weight202.34 g/mol
Exact Mass202.05
IUPAC Name(5-ethyl-2-ethylsulfanylthiophen-3-yl)methanol
SMILESCCSc1sc(CC)cc1CO
InChIInChI=1S/C9H14OS2/c1-3-8-5-7(6-10)9(12-8)11-4-2/h5,10H,3-4,6H2,1-2H3
InChIKeyWUXNTJZTKSZGLT-UHFFFAOYSA-N
XLogP2.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-ethyl-2-ethylsulfanylthiophen-3-yl)methanol?
The IUPAC name of (5-ethyl-2-ethylsulfanylthiophen-3-yl)methanol (CID 784944) is (5-ethyl-2-ethylsulfanylthiophen-3-yl)methanol.
What is the SMILES notation for (5-ethyl-2-ethylsulfanylthiophen-3-yl)methanol?
The canonical SMILES for (5-ethyl-2-ethylsulfanylthiophen-3-yl)methanol is CCSc1sc(CC)cc1CO.
What is the InChIKey of (5-ethyl-2-ethylsulfanylthiophen-3-yl)methanol?
The InChIKey is WUXNTJZTKSZGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14OS2/c1-3-8-5-7(6-10)9(12-8)11-4-2/h5,10H,3-4,6H2,1-2H3.
What are the key properties of (5-ethyl-2-ethylsulfanylthiophen-3-yl)methanol?
(5-ethyl-2-ethylsulfanylthiophen-3-yl)methanol has a molecular weight of 202.34 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-2-ethylsulfanylthiophen-3-yl)methanol is sourced from PubChem (CID 784944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).