3-ethyl-5-methylsulfanyl-1-benzothiophene

C11H12S2 — CID 146510134

IUPAC3-ethyl-5-methylsulfanyl-1-benzothiophene
SMILESCCc1csc2ccc(SC)cc12
InChIInChI=1S/C11H12S2/c1-3-8-7-13-11-5-4-9(12-2)6-10(8)11/h4-7H,3H2,1-2H3
InChIKeyZUURZJIICUTNHK-UHFFFAOYSA-N
MW208.35 g/mol
LogP4.19
Rot. Bonds2

About 3-ethyl-5-methylsulfanyl-1-benzothiophene

3-ethyl-5-methylsulfanyl-1-benzothiophene (PubChem CID 146510134) has the molecular formula C11H12S2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 3-ethyl-5-methylsulfanyl-1-benzothiophene.

Molecular Properties

Compound Name3-ethyl-5-methylsulfanyl-1-benzothiophene
PubChem CID146510134
Molecular FormulaC11H12S2
Molecular Weight208.35 g/mol
Exact Mass208.04
IUPAC Name3-ethyl-5-methylsulfanyl-1-benzothiophene
SMILESCCc1csc2ccc(SC)cc12
InChIInChI=1S/C11H12S2/c1-3-8-7-13-11-5-4-9(12-2)6-10(8)11/h4-7H,3H2,1-2H3
InChIKeyZUURZJIICUTNHK-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methylsulfanyl-1-benzothiophene?
The IUPAC name of 3-ethyl-5-methylsulfanyl-1-benzothiophene (CID 146510134) is 3-ethyl-5-methylsulfanyl-1-benzothiophene.
What is the SMILES notation for 3-ethyl-5-methylsulfanyl-1-benzothiophene?
The canonical SMILES for 3-ethyl-5-methylsulfanyl-1-benzothiophene is CCc1csc2ccc(SC)cc12.
What is the InChIKey of 3-ethyl-5-methylsulfanyl-1-benzothiophene?
The InChIKey is ZUURZJIICUTNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12S2/c1-3-8-7-13-11-5-4-9(12-2)6-10(8)11/h4-7H,3H2,1-2H3.
What are the key properties of 3-ethyl-5-methylsulfanyl-1-benzothiophene?
3-ethyl-5-methylsulfanyl-1-benzothiophene has a molecular weight of 208.35 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methylsulfanyl-1-benzothiophene is sourced from PubChem (CID 146510134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).