2-(ethylsulfanylmethyl)-5-fluoro-1-benzothiophene

C11H11FS2 — CID 117176433

IUPAC2-(ethylsulfanylmethyl)-5-fluoro-1-benzothiophene
SMILESCCSCc1cc2cc(F)ccc2s1
InChIInChI=1S/C11H11FS2/c1-2-13-7-10-6-8-5-9(12)3-4-11(8)14-10/h3-6H,2,7H2,1H3
InChIKeyAEUSYQBDQHTEOS-UHFFFAOYSA-N
MW226.34 g/mol
LogP4.29
Rot. Bonds3

About 2-(ethylsulfanylmethyl)-5-fluoro-1-benzothiophene

2-(ethylsulfanylmethyl)-5-fluoro-1-benzothiophene (PubChem CID 117176433) has the molecular formula C11H11FS2 and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-(ethylsulfanylmethyl)-5-fluoro-1-benzothiophene.

Molecular Properties

Compound Name2-(ethylsulfanylmethyl)-5-fluoro-1-benzothiophene
PubChem CID117176433
Molecular FormulaC11H11FS2
Molecular Weight226.34 g/mol
Exact Mass226.03
IUPAC Name2-(ethylsulfanylmethyl)-5-fluoro-1-benzothiophene
SMILESCCSCc1cc2cc(F)ccc2s1
InChIInChI=1S/C11H11FS2/c1-2-13-7-10-6-8-5-9(12)3-4-11(8)14-10/h3-6H,2,7H2,1H3
InChIKeyAEUSYQBDQHTEOS-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfanylmethyl)-5-fluoro-1-benzothiophene?
The IUPAC name of 2-(ethylsulfanylmethyl)-5-fluoro-1-benzothiophene (CID 117176433) is 2-(ethylsulfanylmethyl)-5-fluoro-1-benzothiophene.
What is the SMILES notation for 2-(ethylsulfanylmethyl)-5-fluoro-1-benzothiophene?
The canonical SMILES for 2-(ethylsulfanylmethyl)-5-fluoro-1-benzothiophene is CCSCc1cc2cc(F)ccc2s1.
What is the InChIKey of 2-(ethylsulfanylmethyl)-5-fluoro-1-benzothiophene?
The InChIKey is AEUSYQBDQHTEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FS2/c1-2-13-7-10-6-8-5-9(12)3-4-11(8)14-10/h3-6H,2,7H2,1H3.
What are the key properties of 2-(ethylsulfanylmethyl)-5-fluoro-1-benzothiophene?
2-(ethylsulfanylmethyl)-5-fluoro-1-benzothiophene has a molecular weight of 226.34 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfanylmethyl)-5-fluoro-1-benzothiophene is sourced from PubChem (CID 117176433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).